Results - TL_step0-01A

Calculations ended successfully.

Input parameters

Project:TL_step0-01A
High resolution diffraction limits: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, 1.41 Å, 1.40 Å, 1.39 Å, 1.38 Å, 1.37 Å, 1.36 Å, 1.35 Å, 1.34 Å, 1.33 Å, 1.32 Å, 1.31 Å
Initial structure model:3n21_edit05_refmac1.pdb
Merged diffraction data:AUTOMATIC_DEFAULT_free_R.mtz
Unmerged diffraction data:AUTOMATIC_DEFAULT_scaled_unmerged.mtz
Data with FreeRflag set 0 will be excluded during refinement.

Run details and program versions

Working directory:/public/pairef_datasets/publication_examples/3-2_TL/pairef_TL_step0-01A
Run date and time:2020-05-26 13:00:04
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 `3n21_edit05_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 `3n21_edit05_refmac1.pdb` using the installed version of REFMAC5. This could be performed using the arguments --refmac --prerefinement-ncyc

Overall values

R-values
Raw data: TL_step0-01A_R-values.csv
# Shell      Rwork(init) Rwork(fin) Rwork(diff)   Rfree(init) Rfree(fin) Rfree(diff)
1.80A->1.79A      0.1580     0.1579     -0.0001        0.1954     0.1964      0.0010
1.79A->1.78A      0.1581     0.1583      0.0002        0.1964     0.1961     -0.0003
1.78A->1.77A      0.1585     0.1587      0.0002        0.1963     0.1958     -0.0005
1.77A->1.76A      0.1588     0.1590      0.0002        0.1956     0.1957      0.0001
1.76A->1.75A      0.1594     0.1594      0.0000        0.1960     0.1950     -0.0010
1.75A->1.74A      0.1598     0.1599      0.0001        0.1948     0.1948      0.0000
1.74A->1.73A      0.1602     0.1604      0.0002        0.1946     0.1945     -0.0001
1.73A->1.72A      0.1607     0.1610      0.0003        0.1948     0.1944     -0.0004
1.72A->1.71A      0.1614     0.1614      0.0000        0.1946     0.1946      0.0000
1.71A->1.70A      0.1618     0.1619      0.0001        0.1949     0.1949      0.0000
1.70A->1.69A      0.1623     0.1623      0.0000        0.1948     0.1947     -0.0001
1.69A->1.68A      0.1627     0.1627      0.0000        0.1951     0.1950     -0.0001
1.68A->1.67A      0.1632     0.1634      0.0002        0.1949     0.1951      0.0002
1.67A->1.66A      0.1635     0.1637      0.0002        0.1958     0.1960      0.0002
1.66A->1.65A      0.1641     0.1645      0.0004        0.1960     0.1961      0.0001
1.65A->1.64A      0.1653     0.1654      0.0001        0.1973     0.1968     -0.0005
1.64A->1.63A      0.1659     0.1657     -0.0002        0.1975     0.1972     -0.0003
1.63A->1.62A      0.1661     0.1663      0.0002        0.1980     0.1977     -0.0003
1.62A->1.61A      0.1668     0.1670      0.0002        0.1982     0.1980     -0.0002
1.61A->1.60A      0.1675     0.1675      0.0000        0.1984     0.1981     -0.0003
1.60A->1.59A      0.1679     0.1681      0.0002        0.1986     0.1983     -0.0003
1.59A->1.58A      0.1685     0.1685      0.0000        0.1991     0.1987     -0.0004
1.58A->1.57A      0.1691     0.1690     -0.0001        0.1993     0.1992     -0.0001
1.57A->1.56A      0.1696     0.1697      0.0001        0.1998     0.1996     -0.0002
1.56A->1.55A      0.1703     0.1704      0.0001        0.2003     0.2002     -0.0001
1.55A->1.54A      0.1709     0.1710      0.0001        0.2008     0.2007     -0.0001
1.54A->1.53A      0.1716     0.1717      0.0001        0.2013     0.2010     -0.0003
1.53A->1.52A      0.1724     0.1723     -0.0001        0.2017     0.2015     -0.0002
1.52A->1.51A      0.1730     0.1732      0.0002        0.2022     0.2019     -0.0003
1.51A->1.50A      0.1738     0.1737     -0.0001        0.2024     0.2023     -0.0001
1.50A->1.49A      0.1743     0.1744      0.0001        0.2032     0.2034      0.0002
1.49A->1.48A      0.1749     0.1749      0.0000        0.2042     0.2042      0.0000
1.48A->1.47A      0.1754     0.1755      0.0001        0.2046     0.2047      0.0001
1.47A->1.46A      0.1761     0.1762      0.0001        0.2051     0.2048     -0.0003
1.46A->1.45A      0.1765     0.1767      0.0002        0.2054     0.2054      0.0000
1.45A->1.44A      0.1771     0.1771      0.0000        0.2061     0.2057     -0.0004
1.44A->1.43A      0.1776     0.1776      0.0000        0.2062     0.2063      0.0001
1.43A->1.42A      0.1780     0.1782      0.0002        0.2070     0.2071      0.0001
1.42A->1.41A      0.1799     0.1801      0.0002        0.2078     0.2074     -0.0004
1.41A->1.40A      0.1803     0.1805      0.0002        0.2081     0.2078     -0.0003
1.40A->1.39A      0.1807     0.1809      0.0002        0.2085     0.2082     -0.0003
1.39A->1.38A      0.1810     0.1812      0.0002        0.2088     0.2085     -0.0003
1.38A->1.37A      0.1814     0.1815      0.0001        0.2089     0.2087     -0.0002
1.37A->1.36A      0.1816     0.1819      0.0003        0.2094     0.2090     -0.0004
1.36A->1.35A      0.1822     0.1824      0.0002        0.2101     0.2096     -0.0005
1.35A->1.34A      0.1826     0.1828      0.0002        0.2102     0.2100     -0.0002
1.34A->1.33A      0.1832     0.1835      0.0003        0.2107     0.2105     -0.0002
1.33A->1.32A      0.1837     0.1839      0.0002        0.2114     0.2111     -0.0003
1.32A->1.31A      0.1840     0.1843      0.0003        0.2119     0.2115     -0.0004

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

Rgap
Raw data: TL_step0-01A_Rgap.csv

Note: The R-values were calculated at 1.80 Å resolution.

Dependence on resolution

WARNING: There are only 27 < 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 33 < 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 36 < 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 27 < 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 25 < 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 26 < 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 38 < 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 26 < 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 26 < 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 29 < 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 22 < 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 29 < 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 31 < 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 28 < 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 33 < 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 28 < 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 27 < 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 31 < 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 42 < 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 46 < 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 37 < 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 41 < 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 36 < 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 44 < 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 40 < 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 30 < 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 37 < 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 47 < 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 49 < 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 35 < 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 33 < 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 39 < 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 36 < 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 35 < 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 27 < 50 free reflections in the resolution shell 1.44-1.43 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 1.43-1.42 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 33 < 50 free reflections in the resolution shell 1.42-1.41 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 1.41-1.40 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 1.40-1.39 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 1.39-1.38 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 1.38-1.37 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 1.37-1.36 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 1.36-1.35 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 1.35-1.34 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 1.34-1.33 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 1.33-1.32 A. Values of statistics Rfree and CCfree in this shell could be misleading. Consider setting thicker resolution shells.
WARNING: There are only 4 < 50 free reflections in the resolution shell 1.32-1.31 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: TL_step0-01A_Optical_resolution.csv

Merging statistics

WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.025)
WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.004)
WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.022)
WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.016)
WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.038)
WARNING: A CC*-value for a particular shell could not be calculated. (CC1/2 = -0.048)
CC Intensities Comp_Mult Rmerge_Rmeas_Rpim No_reflections

Raw data: TL_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     67.79   4.77 125941   1831   68.78 100.00      26.5    56.8    0.071    0.072    0.008   1.000   0.704   1.0000
02      4.77   3.37 232091   3108   74.68  99.97      28.4    56.4    0.088    0.089    0.010   1.000   0.503   1.0000
03      3.37   2.75 301747   3938   76.62  99.92      11.7    33.1    0.150    0.151    0.017   0.999   0.355   0.9997
04      2.75   2.38 342932   4589   74.73  99.59       5.0    19.5    0.255    0.257    0.029   0.997   0.231   0.9992
05      2.38   2.13 396759   5102   77.77  99.20       2.8    13.4    0.379    0.381    0.042   0.994   0.147   0.9985
06      2.13   1.94 427018   5775   73.94  98.79       1.5     8.4    0.595    0.599    0.068   0.986   0.049   0.9965
07      1.94   1.80 455635   5900   77.23  98.38       0.6     4.8    1.040    1.046    0.117   0.965   0.052   0.9911
08      1.80   1.79  36615    492   74.42  98.20       0.5     3.7    1.284    1.293    0.148   0.434   0.046   0.7780
09      1.79   1.78  35770    493   72.56  98.40       0.4     3.3    1.457    1.467    0.169   0.917  -0.049   0.9781
10      1.78   1.77  36874    525   70.24  97.58       0.4     3.2    1.531    1.541    0.181   0.902  -0.018   0.9739
11      1.77   1.76  39141    530   73.85  98.15       0.4     2.9    1.610    1.620    0.185   0.904   0.054   0.9745
12      1.76   1.75  39987    526   76.02  98.50       0.3     2.8    1.792    1.804    0.203   0.884   0.052   0.9687
13      1.75   1.74  42053    547   76.88  97.16       0.3     2.7    1.846    1.857    0.208   0.771  -0.061   0.9331
14      1.74   1.73  42518    561   75.79  98.59       0.3     2.5    1.969    1.982    0.223   0.871   0.065   0.9649
15      1.73   1.72  43650    565   77.26  97.25       0.3     2.4    2.057    2.070    0.231   0.872  -0.002   0.9652
16      1.72   1.71  44009    589   74.72  98.00       0.3     2.3    2.053    2.066    0.235   0.793   0.034   0.9405
17      1.71   1.70  43189    607   71.15  97.90       0.2     2.1    2.172    2.187    0.256   0.852  -0.046   0.9592
18      1.70   1.69  42890    619   69.29  97.63       0.2     2.0    2.299    2.316    0.275   0.591   0.009   0.8619
19      1.69   1.68  45645    619   73.74  98.41       0.2     1.8    2.537    2.555    0.293   0.801   0.020   0.9431
20      1.68   1.67  49405    656   75.31  96.76       0.2     1.9    2.464    2.481    0.281   0.840   0.119   0.9555
21      1.67   1.66  49113    656   74.87  98.50       0.2     1.8    2.681    2.699    0.306   0.770   0.001   0.9328
22      1.66   1.65  49952    656   76.15  96.90       0.2     1.8    2.685    2.703    0.305   0.751   0.015   0.9262
23      1.65   1.64  53812    701   76.76  97.91       0.2     1.5    2.959    2.979    0.335   0.299   0.026   0.6785
24      1.64   1.63  54533    712   76.59  97.14       0.2     1.5    3.024    3.044    0.341   0.734   0.009   0.9201
25      1.63   1.62  56096    723   77.59  97.31       0.1     1.4    3.252    3.272    0.365   0.690  -0.004   0.9036
26      1.62   1.61  57417    738   77.80  97.36       0.1     1.4    3.396    3.417    0.380   0.716  -0.040   0.9135
27      1.61   1.60  58799    751   78.29  97.03       0.1     1.3    3.641    3.663    0.406   0.682  -0.019   0.9005
28      1.60   1.59  58496    780   74.99  97.50       0.1     1.1    3.805    3.830    0.435   0.640   0.079   0.8835
29      1.59   1.58  57573    813   70.82  97.13       0.1     1.0    4.008    4.036    0.472   0.684   0.051   0.9013
30      1.58   1.57  54558    786   69.41  96.09       0.1     1.0    4.338    4.369    0.516   0.577   0.027   0.8554
31      1.57   1.56  55490    832   66.69  96.18       0.1     0.9    4.444    4.478    0.539   0.539   0.003   0.8369
32      1.56   1.55  53622    826   64.92  94.40       0.1     0.8    4.991    5.030    0.614   0.533  -0.015   0.8339
33      1.55   1.54  52871    844   62.64  94.20       0.1     0.7    5.107    5.148    0.640   0.437  -0.094   0.7799
34      1.54   1.53  48072    879   54.69  92.72       0.1     0.6    5.524    5.575    0.728   0.366   0.007   0.7320
35      1.53   1.52  46452    869   53.45  90.24       0.1     0.5    5.701    5.757    0.761   0.092  -0.033   0.4105
36      1.52   1.51  43236    826   52.34  84.72       0.1     0.5    5.924    5.983    0.799   0.246  -0.062   0.6284
37      1.51   1.50  40260    798   50.45  78.78       0.1     0.5    6.125    6.187    0.839   0.409  -0.001   0.7619
38      1.50   1.49  38487    788   48.84  77.56       0.1     0.3    7.429    7.507    1.032   0.178  -0.063   0.5497
39      1.49   1.48  36249    765   47.38  71.50       0.1     0.3    7.327    7.408    1.038   0.122   0.036   0.4663
40      1.48   1.47  34989    759   46.10  69.89       0.1     0.3    7.769    7.858    1.117  -0.025   0.033   N/A
41      1.47   1.46  32410    726   44.64  65.17       0.0     0.2    9.563    9.673    1.390   0.125   0.065   0.4714
42      1.46   1.45  31492    728   43.26  62.76       0.0     0.1   10.949   11.080    1.619   0.078   0.036   0.3804
43      1.45   1.44  29003    719   40.34  60.83       0.0     0.2    9.949   10.077    1.527   0.073   0.014   0.3689
44      1.44   1.43  26432    671   39.39  56.06       0.0     0.1   10.691   10.833    1.665  -0.004  -0.094   N/A
45      1.43   1.42  25371    665   38.15  53.93       0.0     0.0   13.304   13.484    2.113   0.077   0.143   0.3781
46      1.42   1.41  23915    672   35.59  50.95       0.0     0.1   13.498   13.696    2.229  -0.022   0.034   N/A
47      1.41   1.40  21639    646   33.50  49.50       0.0    -0.0   17.163   17.429    2.925  -0.016  -0.061   N/A
48      1.40   1.39  18831    624   30.18  45.88       0.0    -0.0   18.567   18.887    3.356   0.103   0.059   0.4322
49      1.39   1.38  16253    597   27.22  43.48       0.0    -0.0   16.437   16.750    3.134   0.028   0.027   0.2334
50      1.38   1.37  14483    593   24.42  41.18       0.0    -0.1   23.133   23.626    4.666   0.043  -0.021   0.2871
51      1.37   1.36  12206    570   21.41  38.59      -0.0    -0.1   22.931   23.490    4.955   0.022   0.137   0.2075
52      1.36   1.35   9737    536   18.17  34.99      -0.0    -0.1   39.410   40.557    9.278  -0.038   0.074   N/A
53      1.35   1.34   6947    500   13.89  32.01      -0.0    -0.1   19.814   20.577    5.335   0.049  -0.048   0.3057
54      1.34   1.33   3920    409    9.58  25.22       0.0    -0.0   14.650   15.501    4.859  -0.048   0.066   N/A
55      1.33   1.32   1574    266    5.92  16.57       0.0    -0.1   15.335   16.857    6.633   0.025   0.054   0.2209
56      1.32   1.31    170     59    2.88   6.67       0.0    -0.1   19.395   24.160   13.907   0.040  -0.079   0.2774

Statistics vs. cycle

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
1.41A statistics vs. cycle, flag 00
Log file from refinement at 1.41 Å
Structure model refined at 1.41 Å PDB mmCIF
1.40A statistics vs. cycle, flag 00
Log file from refinement at 1.40 Å
Structure model refined at 1.40 Å PDB mmCIF
1.39A statistics vs. cycle, flag 00
Log file from refinement at 1.39 Å
Structure model refined at 1.39 Å PDB mmCIF
1.38A statistics vs. cycle, flag 00
Log file from refinement at 1.38 Å
Structure model refined at 1.38 Å PDB mmCIF
1.37A statistics vs. cycle, flag 00
Log file from refinement at 1.37 Å
Structure model refined at 1.37 Å PDB mmCIF
1.36A statistics vs. cycle, flag 00
Log file from refinement at 1.36 Å
Structure model refined at 1.36 Å PDB mmCIF
1.35A statistics vs. cycle, flag 00
Log file from refinement at 1.35 Å
Structure model refined at 1.35 Å PDB mmCIF
1.34A statistics vs. cycle, flag 00
Log file from refinement at 1.34 Å
Structure model refined at 1.34 Å PDB mmCIF
1.33A statistics vs. cycle, flag 00
Log file from refinement at 1.33 Å
Structure model refined at 1.33 Å PDB mmCIF
1.32A statistics vs. cycle, flag 00
Log file from refinement at 1.32 Å
Structure model refined at 1.32 Å PDB mmCIF
1.31A statistics vs. cycle, flag 00
Log file from refinement at 1.31 Å
Structure model refined at 1.31 Å PDB mmCIF

References

Please reference the used software: