Results - CDO_step0-01A

Calculations ended successfully.

Input parameters

Project:CDO_step0-01A
High resolution diffraction limits:2.00 Å, 1.99 Å, 1.98 Å, 1.97 Å, 1.96 Å, 1.95 Å, 1.94 Å, 1.93 Å, 1.92 Å, 1.91 Å, 1.90 Å, 1.89 Å, 1.88 Å, 1.87 Å, 1.86 Å, 1.85 Å, 1.84 Å, 1.83 Å, 1.82 Å, 1.81 Å, 1.80 Å, 1.79 Å, 1.78 Å, 1.77 Å, 1.76 Å, 1.75 Å, 1.74 Å, 1.73 Å, 1.72 Å, 1.71 Å, 1.70 Å, 1.69 Å, 1.68 Å, 1.67 Å, 1.66 Å, 1.65 Å, 1.64 Å, 1.63 Å, 1.62 Å, 1.61 Å, 1.60 Å, 1.59 Å, 1.58 Å, 1.57 Å, 1.56 Å, 1.55 Å, 1.54 Å, 1.53 Å, 1.52 Å, 1.51 Å, 1.50 Å, 1.49 Å, 1.48 Å, 1.47 Å, 1.46 Å, 1.45 Å, 1.44 Å, 1.43 Å, 1.42 Å
Initial structure model:2B5H_edit_refmac1.pdb
Merged diffraction data:CDO_R.mtz
Unmerged diffraction data:XDS_ASCII.HKL
Data with FreeRflag set 0 will be excluded during refinement.

Run details and program versions

Working directory:/public/pairef_datasets/publication_examples/3-3_CDO/pairef_CDO_step0-01A
Run date and time:2020-05-26 13:00:24
user@host:maly@localhost
PAIREF version:1.1.0
REFMAC5 version:5.8.0258
Python version and executable:2.7.15 /protein2/phenix/phenix-1.16-3546/build/../conda_base/bin/python2.7
matplotlib version:2.2.3
WARNING: The version of REFMAC5 used for refinement of the input structure model `2B5H_edit_refmac1.pdb` (5.8.0257) is not the same as the version of REFMAC5 that is now installed and used during paired refinement (5.8.0258). The results from PAIREF could be misleading. Consider refinement of the structure model `2B5H_edit_refmac1.pdb` using the installed version of REFMAC5. This could be performed using the arguments --refmac --prerefinement-ncyc

Overall values

R-values
Raw data: CDO_step0-01A_R-values.csv
# Shell      Rwork(init) Rwork(fin) Rwork(diff)   Rfree(init) Rfree(fin) Rfree(diff)
2.00A->1.99A      0.1561     0.1572      0.0011        0.2180     0.2200      0.0020
1.99A->1.98A      0.1572     0.1578      0.0006        0.2198     0.2203      0.0005
1.98A->1.97A      0.1577     0.1580      0.0003        0.2198     0.2187     -0.0011
1.97A->1.96A      0.1579     0.1583      0.0004        0.2184     0.2181     -0.0003
1.96A->1.95A      0.1581     0.1582      0.0001        0.2177     0.2169     -0.0008
1.95A->1.94A      0.1582     0.1583      0.0001        0.2165     0.2158     -0.0007
1.94A->1.93A      0.1583     0.1584      0.0001        0.2157     0.2160      0.0003
1.93A->1.92A      0.1586     0.1589      0.0003        0.2160     0.2162      0.0002
1.92A->1.91A      0.1590     0.1591      0.0001        0.2165     0.2163     -0.0002
1.91A->1.90A      0.1590     0.1594      0.0004        0.2159     0.2154     -0.0005
1.90A->1.89A      0.1597     0.1600      0.0003        0.2157     0.2151     -0.0006
1.89A->1.88A      0.1602     0.1607      0.0005        0.2156     0.2151     -0.0005
1.88A->1.87A      0.1612     0.1614      0.0002        0.2156     0.2150     -0.0006
1.87A->1.86A      0.1619     0.1619      0.0000        0.2149     0.2147     -0.0002
1.86A->1.85A      0.1624     0.1625      0.0001        0.2150     0.2151      0.0001
1.85A->1.84A      0.1634     0.1635      0.0001        0.2154     0.2153     -0.0001
1.84A->1.83A      0.1640     0.1640      0.0000        0.2158     0.2154     -0.0004
1.83A->1.82A      0.1646     0.1646      0.0000        0.2167     0.2170      0.0003
1.82A->1.81A      0.1656     0.1657      0.0001        0.2180     0.2183      0.0003
1.81A->1.80A      0.1664     0.1665      0.0001        0.2176     0.2185      0.0009
1.80A->1.79A      0.1669     0.1672      0.0003        0.2180     0.2185      0.0005
1.79A->1.78A      0.1680     0.1682      0.0002        0.2187     0.2188      0.0001
1.78A->1.77A      0.1692     0.1692      0.0000        0.2192     0.2189     -0.0003
1.77A->1.76A      0.1700     0.1699     -0.0001        0.2190     0.2188     -0.0002
1.76A->1.75A      0.1709     0.1709      0.0000        0.2188     0.2186     -0.0002
1.75A->1.74A      0.1717     0.1718      0.0001        0.2197     0.2189     -0.0008
1.74A->1.73A      0.1729     0.1730      0.0001        0.2189     0.2201      0.0012
1.73A->1.72A      0.1740     0.1742      0.0002        0.2204     0.2203     -0.0001
1.72A->1.71A      0.1752     0.1753      0.0001        0.2209     0.2211      0.0002
1.71A->1.70A      0.1764     0.1764      0.0000        0.2221     0.2227      0.0006
1.70A->1.69A      0.1776     0.1776      0.0000        0.2228     0.2234      0.0006
1.69A->1.68A      0.1790     0.1793      0.0003        0.2244     0.2248      0.0004
1.68A->1.67A      0.1804     0.1806      0.0002        0.2250     0.2254      0.0004
1.67A->1.66A      0.1817     0.1822      0.0005        0.2259     0.2276      0.0017
1.66A->1.65A      0.1835     0.1839      0.0004        0.2283     0.2284      0.0001
1.65A->1.64A      0.1853     0.1855      0.0002        0.2296     0.2296      0.0000
1.64A->1.63A      0.1868     0.1869      0.0001        0.2297     0.2306      0.0009
1.63A->1.62A      0.1879     0.1880      0.0001        0.2302     0.2303      0.0001
1.62A->1.61A      0.1894     0.1895      0.0001        0.2315     0.2323      0.0008
1.61A->1.60A      0.1906     0.1908      0.0002        0.2337     0.2343      0.0006
1.60A->1.59A      0.1920     0.1922      0.0002        0.2349     0.2352      0.0003
1.59A->1.58A      0.1937     0.1937      0.0000        0.2359     0.2363      0.0004
1.58A->1.57A      0.1950     0.1950      0.0000        0.2373     0.2375      0.0002
1.57A->1.56A      0.1963     0.1964      0.0001        0.2379     0.2381      0.0002
1.56A->1.55A      0.1977     0.1978      0.0001        0.2387     0.2389      0.0002
1.55A->1.54A      0.1993     0.1994      0.0001        0.2387     0.2393      0.0006
1.54A->1.53A      0.2010     0.2021      0.0011        0.2402     0.2409      0.0007
1.53A->1.52A      0.2029     0.2022     -0.0007        0.2401     0.2406      0.0005
1.52A->1.51A      0.2037     0.2037      0.0000        0.2407     0.2411      0.0004
1.51A->1.50A      0.2051     0.2053      0.0002        0.2421     0.2428      0.0007
1.50A->1.49A      0.2065     0.2067      0.0002        0.2435     0.2442      0.0007
1.49A->1.48A      0.2080     0.2083      0.0003        0.2451     0.2456      0.0005
1.48A->1.47A      0.2095     0.2098      0.0003        0.2457     0.2460      0.0003
1.47A->1.46A      0.2111     0.2115      0.0004        0.2464     0.2466      0.0002
1.46A->1.45A      0.2124     0.2126      0.0002        0.2477     0.2485      0.0008
1.45A->1.44A      0.2136     0.2141      0.0005        0.2488     0.2496      0.0008
1.44A->1.43A      0.2154     0.2156      0.0002        0.2498     0.2502      0.0004
1.43A->1.42A      0.2170     0.2171      0.0001        0.2513     0.2521      0.0008

Note: For each incremental step of resolution from X->Y, the R-values were calculated at resolution X.

Rgap
Raw data: CDO_step0-01A_Rgap.csv

Note: The R-values were calculated at 2.00 Å resolution.

Dependence on resolution

WARNING: There are only 9 < 50 free reflections in the resolution shell 2.00-1.99 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 10 < 50 free reflections in the resolution shell 1.99-1.98 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 11 < 50 free reflections in the resolution shell 1.98-1.97 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 11 < 50 free reflections in the resolution shell 1.97-1.96 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 16 < 50 free reflections in the resolution shell 1.96-1.95 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 18 < 50 free reflections in the resolution shell 1.95-1.94 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 8 < 50 free reflections in the resolution shell 1.94-1.93 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 15 < 50 free reflections in the resolution shell 1.93-1.92 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 9 < 50 free reflections in the resolution shell 1.92-1.91 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 15 < 50 free reflections in the resolution shell 1.91-1.90 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 11 < 50 free reflections in the resolution shell 1.90-1.89 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 21 < 50 free reflections in the resolution shell 1.89-1.88 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 10 < 50 free reflections in the resolution shell 1.88-1.87 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 10 < 50 free reflections in the resolution shell 1.87-1.86 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 7 < 50 free reflections in the resolution shell 1.86-1.85 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 12 < 50 free reflections in the resolution shell 1.85-1.84 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 21 < 50 free reflections in the resolution shell 1.84-1.83 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 14 < 50 free reflections in the resolution shell 1.83-1.82 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 13 < 50 free reflections in the resolution shell 1.82-1.81 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 18 < 50 free reflections in the resolution shell 1.81-1.80 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 19 < 50 free reflections in the resolution shell 1.80-1.79 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 21 < 50 free reflections in the resolution shell 1.79-1.78 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 21 < 50 free reflections in the resolution shell 1.78-1.77 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 18 < 50 free reflections in the resolution shell 1.77-1.76 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 19 < 50 free reflections in the resolution shell 1.76-1.75 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 20 < 50 free reflections in the resolution shell 1.75-1.74 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 21 < 50 free reflections in the resolution shell 1.74-1.73 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 18 < 50 free reflections in the resolution shell 1.73-1.72 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 31 < 50 free reflections in the resolution shell 1.72-1.71 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 14 < 50 free reflections in the resolution shell 1.71-1.70 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 22 < 50 free reflections in the resolution shell 1.70-1.69 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 19 < 50 free reflections in the resolution shell 1.69-1.68 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 18 < 50 free reflections in the resolution shell 1.68-1.67 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 27 < 50 free reflections in the resolution shell 1.67-1.66 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 18 < 50 free reflections in the resolution shell 1.66-1.65 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 25 < 50 free reflections in the resolution shell 1.65-1.64 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 23 < 50 free reflections in the resolution shell 1.64-1.63 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 24 < 50 free reflections in the resolution shell 1.63-1.62 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 26 < 50 free reflections in the resolution shell 1.62-1.61 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 28 < 50 free reflections in the resolution shell 1.61-1.60 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 25 < 50 free reflections in the resolution shell 1.60-1.59 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 29 < 50 free reflections in the resolution shell 1.59-1.58 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 20 < 50 free reflections in the resolution shell 1.58-1.57 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 25 < 50 free reflections in the resolution shell 1.57-1.56 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 16 < 50 free reflections in the resolution shell 1.56-1.55 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 26 < 50 free reflections in the resolution shell 1.55-1.54 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 29 < 50 free reflections in the resolution shell 1.54-1.53 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 20 < 50 free reflections in the resolution shell 1.53-1.52 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 32 < 50 free reflections in the resolution shell 1.52-1.51 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 34 < 50 free reflections in the resolution shell 1.51-1.50 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 38 < 50 free reflections in the resolution shell 1.50-1.49 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 32 < 50 free reflections in the resolution shell 1.49-1.48 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 46 < 50 free reflections in the resolution shell 1.48-1.47 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 34 < 50 free reflections in the resolution shell 1.47-1.46 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 35 < 50 free reflections in the resolution shell 1.46-1.45 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 36 < 50 free reflections in the resolution shell 1.45-1.44 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 36 < 50 free reflections in the resolution shell 1.43-1.42 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
Rfree CCfree
Rwork CCwork
Raw data: No_work_free_reflections

Optical resolution

Optical resolution
Raw data: CDO_step0-01A_Optical_resolution.csv

Merging statistics

WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.002)
CC Intensities Comp_Mult Rmerge_Rmeas_Rpim No_reflections

Raw data: CDO_step0-01A_merging_stats.csv

#shell d_max  d_min   #obs  #uniq   mult.  %comp       <I>  <I/sI>    r_mrg   r_meas    r_pim   cc1/2   cc_ano     cc* 
01     41.96   3.98  30502   2013   15.15 100.00     509.9    92.4    0.029    0.030    0.008   1.000   0.444   1.0000
02      3.98   2.83  55734   3335   16.71 100.00     382.3    74.0    0.048    0.049    0.012   1.000   0.178   1.0000
03      2.83   2.31  73318   4261   17.21 100.00     152.2    40.9    0.127    0.131    0.031   0.999   0.046   0.9997
04      2.31   2.00  86730   5014   17.30 100.00     100.2    23.4    0.254    0.261    0.062   0.997   0.009   0.9992
05      2.00   1.99   3555    204   17.43 100.00      81.4    17.6    0.334    0.343    0.081   0.996  -0.084   0.9990
06      1.99   1.98   3687    214   17.23 100.00      82.0    17.2    0.335    0.345    0.082   0.996  -0.025   0.9990
07      1.98   1.97   4276    246   17.38 100.00      70.6    15.2    0.382    0.394    0.093   0.994  -0.002   0.9985
08      1.97   1.96   3757    215   17.47 100.00      58.4    13.1    0.454    0.468    0.110   0.990  -0.074   0.9975
09      1.96   1.95   4289    249   17.22 100.00      59.6    13.3    0.422    0.435    0.103   0.992   0.089   0.9980
10      1.95   1.94   3993    230   17.36 100.00      54.2    12.1    0.491    0.506    0.120   0.987  -0.022   0.9967
11      1.94   1.93   4061    237   17.14 100.00      50.1    11.1    0.458    0.471    0.112   0.990  -0.104   0.9975
12      1.93   1.92   4332    252   17.19 100.00      54.5    11.1    0.430    0.443    0.106   0.994  -0.103   0.9985
13      1.92   1.91   4164    246   16.93 100.00      51.1    10.4    0.449    0.463    0.112   0.990  -0.052   0.9975
14      1.91   1.90   4538    270   16.81 100.00      49.6    10.2    0.438    0.452    0.109   0.988  -0.082   0.9970
15      1.90   1.89   4417    260   16.99 100.00      42.4     8.8    0.490    0.505    0.122   0.984  -0.187   0.9960
16      1.89   1.88   4738    279   16.98 100.00      36.0     7.7    0.555    0.572    0.138   0.983   0.030   0.9957
17      1.88   1.87   4366    258   16.92 100.00      38.1     8.4    0.523    0.539    0.130   0.980  -0.054   0.9949
18      1.87   1.86   4624    273   16.94 100.00      35.1     7.8    0.569    0.587    0.142   0.975  -0.048   0.9937
19      1.86   1.85   4956    296   16.74 100.00      28.7     6.1    0.662    0.683    0.166   0.973  -0.073   0.9931
20      1.85   1.84   5093    301   16.92 100.00      30.0     6.5    0.604    0.622    0.151   0.973  -0.080   0.9931
21      1.84   1.83   4941    293   16.86 100.00      30.8     6.4    0.582    0.600    0.146   0.975  -0.043   0.9937
22      1.83   1.82   5265    313   16.82 100.00      25.2     5.2    0.658    0.679    0.166   0.970   0.028   0.9924
23      1.82   1.81   5069    302   16.78 100.00      26.9     5.6    0.593    0.612    0.150   0.964   0.336   0.9908
24      1.81   1.80   5143    311   16.54 100.00      29.0     5.8    0.584    0.602    0.148   0.978  -0.003   0.9944
25      1.80   1.79   5805    343   16.92 100.00      20.7     4.4    0.735    0.758    0.183   0.952   0.076   0.9876
26      1.79   1.78   5612    333   16.85 100.00      20.1     4.4    0.729    0.752    0.182   0.950   0.129   0.9871
27      1.78   1.77   5658    338   16.74 100.00      20.1     4.3    0.721    0.744    0.181   0.947   0.000   0.9863
28      1.77   1.76   5897    348   16.95 100.00      17.9     3.9    0.791    0.816    0.197   0.934   0.052   0.9828
29      1.76   1.75   5904    348   16.97 100.00      16.7     3.6    0.842    0.868    0.210   0.959   0.018   0.9895
30      1.75   1.74   6053    366   16.54 100.00      14.5     3.0    0.955    0.986    0.242   0.914   0.219   0.9773
31      1.74   1.73   6433    378   17.02 100.00      13.8     3.0    0.958    0.987    0.239   0.900   0.075   0.9733
32      1.73   1.72   6472    381   16.99 100.00      14.2     3.1    0.900    0.928    0.225   0.923   0.111   0.9798
33      1.72   1.71   6602    388   17.02 100.00      13.5     2.9    0.966    0.996    0.241   0.892   0.212   0.9710
34      1.71   1.70   6535    398   16.42 100.00      11.5     2.5    1.074    1.108    0.273   0.891  -0.060   0.9708
35      1.70   1.69   6365    415   15.34 100.00      10.5     2.3    1.128    1.167    0.297   0.863   0.010   0.9625
36      1.69   1.68   6615    428   15.46 100.00      11.1     2.3    1.125    1.163    0.295   0.875   0.220   0.9661
37      1.68   1.67   6421    426   15.07 100.00      10.0     2.1    1.151    1.192    0.307   0.867   0.280   0.9637
38      1.67   1.66   6573    442   14.87 100.00       8.9     2.0    1.208    1.251    0.324   0.754   0.036   0.9272
39      1.66   1.65   6068    419   14.48 100.00       9.3     1.9    1.211    1.255    0.329   0.823   0.146   0.9502
40      1.65   1.64   6991    487   14.36 100.00       8.6     1.8    1.252    1.299    0.341   0.773   0.018   0.9338
41      1.64   1.63   6297    449   14.02 100.00       9.1     1.9    1.201    1.246    0.332   0.763   0.237   0.9304
42      1.63   1.62   7036    508   13.85 100.00       7.6     1.6    1.434    1.489    0.399   0.708   0.086   0.9105
43      1.62   1.61   6558    483   13.58 100.00       7.2     1.5    1.483    1.542    0.417   0.707  -0.002   0.9101
44      1.61   1.60   6562    493   13.31 100.00       7.5     1.5    1.416    1.473    0.401   0.673  -0.017   0.8970
45      1.60   1.59   6938    530   13.09 100.00       6.1     1.2    1.712    1.781    0.488   0.584  -0.084   0.8587
46      1.59   1.58   7072    546   12.95 100.00       6.2     1.2    1.707    1.777    0.491   0.659  -0.023   0.8913
47      1.58   1.57   6705    538   12.46 100.00       5.9     1.2    1.759    1.834    0.516   0.658  -0.095   0.8909
48      1.57   1.56   6346    561   11.31 100.00       5.5     1.0    1.841    1.929    0.569   0.500  -0.022   0.8165
49      1.56   1.55   5988    578   10.36 100.00       5.0     0.9    2.039    2.145    0.656   0.522  -0.011   0.8282
50      1.55   1.54   5892    596    9.89 100.00       3.6     0.6    2.680    2.827    0.885   0.370  -0.000   0.7349
51      1.54   1.53   5549    595    9.33 100.00       5.2     0.9    2.003    2.120    0.682   0.338  -0.066   0.7108
52      1.53   1.52   5376    610    8.81 100.00       3.6     0.6    2.625    2.790    0.925   0.218  -0.009   0.5983
53      1.52   1.51   5288    644    8.21 100.00       4.0     0.6    2.306    2.459    0.837   0.326   0.054   0.7012
54      1.51   1.50   5160    665    7.76 100.00       4.3     0.7    2.428    2.601    0.912   0.281   0.020   0.6624
55      1.50   1.49   4990    673    7.41 100.00       3.5     0.5    2.844    3.058    1.097   0.154  -0.045   0.5166
56      1.49   1.48   4318    668    6.46 100.00       3.1     0.4    2.785    3.031    1.158   0.131   0.040   0.4813
57      1.48   1.47   3898    712    5.47 100.00       3.4     0.4    2.698    2.981    1.216   0.159   0.136   0.5238
58      1.47   1.46   3735    748    4.99 100.00       3.0     0.4    3.156    3.532    1.514   0.056  -0.055   0.3257
59      1.46   1.45   3334    746    4.47 100.00       3.7     0.4    2.760    3.127    1.405   0.039  -0.027   0.2740
60      1.45   1.44   2730    752    3.63 100.00       2.5     0.2    4.123    4.785    2.324  -0.002   0.029   N/A
61      1.44   1.43   2389    784    3.05  98.37       2.5     0.2    4.947    5.868    3.048   0.090  -0.170   0.4064
62      1.43   1.42   2161    761    2.84  93.15       1.7     0.1    6.579    7.844    4.119   0.077  -0.058   0.3781
		

Statistics vs. cycle

1.99A statistics vs. cycle, flag 00
Log file from refinement at 1.99 Å
Structure model refined at 1.99 Å PDB mmCIF
1.98A statistics vs. cycle, flag 00
Log file from refinement at 1.98 Å
Structure model refined at 1.98 Å PDB mmCIF
1.97A statistics vs. cycle, flag 00
Log file from refinement at 1.97 Å
Structure model refined at 1.97 Å PDB mmCIF
1.96A statistics vs. cycle, flag 00
Log file from refinement at 1.96 Å
Structure model refined at 1.96 Å PDB mmCIF
1.95A statistics vs. cycle, flag 00
Log file from refinement at 1.95 Å
Structure model refined at 1.95 Å PDB mmCIF
1.94A statistics vs. cycle, flag 00
Log file from refinement at 1.94 Å
Structure model refined at 1.94 Å PDB mmCIF
1.93A statistics vs. cycle, flag 00
Log file from refinement at 1.93 Å
Structure model refined at 1.93 Å PDB mmCIF
1.92A statistics vs. cycle, flag 00
Log file from refinement at 1.92 Å
Structure model refined at 1.92 Å PDB mmCIF
1.91A statistics vs. cycle, flag 00
Log file from refinement at 1.91 Å
Structure model refined at 1.91 Å PDB mmCIF
1.90A statistics vs. cycle, flag 00
Log file from refinement at 1.90 Å
Structure model refined at 1.90 Å PDB mmCIF
1.89A statistics vs. cycle, flag 00
Log file from refinement at 1.89 Å
Structure model refined at 1.89 Å PDB mmCIF
1.88A statistics vs. cycle, flag 00
Log file from refinement at 1.88 Å
Structure model refined at 1.88 Å PDB mmCIF
1.87A statistics vs. cycle, flag 00
Log file from refinement at 1.87 Å
Structure model refined at 1.87 Å PDB mmCIF
1.86A statistics vs. cycle, flag 00
Log file from refinement at 1.86 Å
Structure model refined at 1.86 Å PDB mmCIF
1.85A statistics vs. cycle, flag 00
Log file from refinement at 1.85 Å
Structure model refined at 1.85 Å PDB mmCIF
1.84A statistics vs. cycle, flag 00
Log file from refinement at 1.84 Å
Structure model refined at 1.84 Å PDB mmCIF
1.83A statistics vs. cycle, flag 00
Log file from refinement at 1.83 Å
Structure model refined at 1.83 Å PDB mmCIF
1.82A statistics vs. cycle, flag 00
Log file from refinement at 1.82 Å
Structure model refined at 1.82 Å PDB mmCIF
1.81A statistics vs. cycle, flag 00
Log file from refinement at 1.81 Å
Structure model refined at 1.81 Å PDB mmCIF
1.80A statistics vs. cycle, flag 00
Log file from refinement at 1.80 Å
Structure model refined at 1.80 Å PDB mmCIF
1.79A statistics vs. cycle, flag 00
Log file from refinement at 1.79 Å
Structure model refined at 1.79 Å PDB mmCIF
1.78A statistics vs. cycle, flag 00
Log file from refinement at 1.78 Å
Structure model refined at 1.78 Å PDB mmCIF
1.77A statistics vs. cycle, flag 00
Log file from refinement at 1.77 Å
Structure model refined at 1.77 Å PDB mmCIF
1.76A statistics vs. cycle, flag 00
Log file from refinement at 1.76 Å
Structure model refined at 1.76 Å PDB mmCIF
1.75A statistics vs. cycle, flag 00
Log file from refinement at 1.75 Å
Structure model refined at 1.75 Å PDB mmCIF
1.74A statistics vs. cycle, flag 00
Log file from refinement at 1.74 Å
Structure model refined at 1.74 Å PDB mmCIF
1.73A statistics vs. cycle, flag 00
Log file from refinement at 1.73 Å
Structure model refined at 1.73 Å PDB mmCIF
1.72A statistics vs. cycle, flag 00
Log file from refinement at 1.72 Å
Structure model refined at 1.72 Å PDB mmCIF
1.71A statistics vs. cycle, flag 00
Log file from refinement at 1.71 Å
Structure model refined at 1.71 Å PDB mmCIF
1.70A statistics vs. cycle, flag 00
Log file from refinement at 1.70 Å
Structure model refined at 1.70 Å PDB mmCIF
1.69A statistics vs. cycle, flag 00
Log file from refinement at 1.69 Å
Structure model refined at 1.69 Å PDB mmCIF
1.68A statistics vs. cycle, flag 00
Log file from refinement at 1.68 Å
Structure model refined at 1.68 Å PDB mmCIF
1.67A statistics vs. cycle, flag 00
Log file from refinement at 1.67 Å
Structure model refined at 1.67 Å PDB mmCIF
1.66A statistics vs. cycle, flag 00
Log file from refinement at 1.66 Å
Structure model refined at 1.66 Å PDB mmCIF
1.65A statistics vs. cycle, flag 00
Log file from refinement at 1.65 Å
Structure model refined at 1.65 Å PDB mmCIF
1.64A statistics vs. cycle, flag 00
Log file from refinement at 1.64 Å
Structure model refined at 1.64 Å PDB mmCIF
1.63A statistics vs. cycle, flag 00
Log file from refinement at 1.63 Å
Structure model refined at 1.63 Å PDB mmCIF
1.62A statistics vs. cycle, flag 00
Log file from refinement at 1.62 Å
Structure model refined at 1.62 Å PDB mmCIF
1.61A statistics vs. cycle, flag 00
Log file from refinement at 1.61 Å
Structure model refined at 1.61 Å PDB mmCIF
1.60A statistics vs. cycle, flag 00
Log file from refinement at 1.60 Å
Structure model refined at 1.60 Å PDB mmCIF
1.59A statistics vs. cycle, flag 00
Log file from refinement at 1.59 Å
Structure model refined at 1.59 Å PDB mmCIF
1.58A statistics vs. cycle, flag 00
Log file from refinement at 1.58 Å
Structure model refined at 1.58 Å PDB mmCIF
1.57A statistics vs. cycle, flag 00
Log file from refinement at 1.57 Å
Structure model refined at 1.57 Å PDB mmCIF
1.56A statistics vs. cycle, flag 00
Log file from refinement at 1.56 Å
Structure model refined at 1.56 Å PDB mmCIF
1.55A statistics vs. cycle, flag 00
Log file from refinement at 1.55 Å
Structure model refined at 1.55 Å PDB mmCIF
1.54A statistics vs. cycle, flag 00
Log file from refinement at 1.54 Å
Structure model refined at 1.54 Å PDB mmCIF
1.53A statistics vs. cycle, flag 00
Log file from refinement at 1.53 Å
Structure model refined at 1.53 Å PDB mmCIF
1.52A statistics vs. cycle, flag 00
Log file from refinement at 1.52 Å
Structure model refined at 1.52 Å PDB mmCIF
1.51A statistics vs. cycle, flag 00
Log file from refinement at 1.51 Å
Structure model refined at 1.51 Å PDB mmCIF
1.50A statistics vs. cycle, flag 00
Log file from refinement at 1.50 Å
Structure model refined at 1.50 Å PDB mmCIF
1.49A statistics vs. cycle, flag 00
Log file from refinement at 1.49 Å
Structure model refined at 1.49 Å PDB mmCIF
1.48A statistics vs. cycle, flag 00
Log file from refinement at 1.48 Å
Structure model refined at 1.48 Å PDB mmCIF
1.47A statistics vs. cycle, flag 00
Log file from refinement at 1.47 Å
Structure model refined at 1.47 Å PDB mmCIF
1.46A statistics vs. cycle, flag 00
Log file from refinement at 1.46 Å
Structure model refined at 1.46 Å PDB mmCIF
1.45A statistics vs. cycle, flag 00
Log file from refinement at 1.45 Å
Structure model refined at 1.45 Å PDB mmCIF
1.44A statistics vs. cycle, flag 00
Log file from refinement at 1.44 Å
Structure model refined at 1.44 Å PDB mmCIF
1.43A statistics vs. cycle, flag 00
Log file from refinement at 1.43 Å
Structure model refined at 1.43 Å PDB mmCIF
1.42A statistics vs. cycle, flag 00
Log file from refinement at 1.42 Å
Structure model refined at 1.42 Å PDB mmCIF

References

Please reference the used software: