data_5SBG

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5SBG
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5SBG
_pdbx_vrpt_summary.PDB_deposition_date         2021-08-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-15
_pdbx_vrpt_summary.report_creation_date        2023-11-04:15:09
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "METP, miniaturized rubredoxin"  
2  non-polymer  "ZINC ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  1.338  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   82.28  141614     ?     ?  
 2  2  1   68.03    1417  1.32  1.36  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1397  1.32  1.36  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    1397  1.32  1.36  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    1369  1.32  1.36  
 9  1  5   96.25  130704     ?     ?  
10  2  5   77.54    1385  1.32  1.36  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  C  100.00  
2  4  2  A  1  1  C  100.00  
3  5  3  A  1  1  C  100.00  
4  6  3  A  1  1  C  100.00  
5  7  4  A  1  1  C  100.00  
6  8  4  A  1  1  C  100.00  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     C
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.93
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.47
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   214
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  287
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     2.46
_pdbx_vrpt_summary_geometry.num_H_reduce                   192
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 214
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.47
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                287
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.93
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            43.757
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         12.226
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.66(1.34A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4770
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.414
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.470
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.312
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.979
_pdbx_vrpt_summary_diffraction.DCC_R                     0.13
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.17
_pdbx_vrpt_summary_diffraction.EDS_R                     0.14
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.34
_pdbx_vrpt_summary_diffraction.EDS_res_low               31.25
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[15.704,11.507,10.388,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.424
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 20.20 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 9.1622e-03."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.51
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      266
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.58
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.34
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        31.25
_pdbx_vrpt_summary_diffraction.PDB_R                     0.13
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.17
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_symm_clashes
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
 1  1  1  A   1  ACE  C    0  .  ?        ?     ?     ?     ?  ?     
 2  1  1  A   2  TYR  C    1  .  ?        ?     ?     ?     ?  ?     
 3  1  1  A   3  CYS  C    2  .  ?        ?     ?     ?     ?  ?     
 4  1  1  A   4  SER  C    3  .  ?        ?     ?     ?     ?  ?     
 5  1  1  A   5  ASP  C    4  .  ?        ?     ?     ?     ?  ?     
 6  1  1  A   6  CYS  C    5  .  ?        ?     ?     ?     ?  ?     
 7  1  1  A   7  GLY  C    6  .  ?        ?     ?     ?     ?  ?     
 8  1  1  A   8  ALA  C    7  .  ?        ?     ?     ?     ?  ?     
 9  1  1  A   9  ASP  C    8  .  ?        ?     ?     ?     ?  ?     
10  1  1  A  10  AIB  C    9  .  ?        ?     ?     ?     2  ?     
11  1  1  A  11  SER  C   10  .  ?        ?     ?     ?     ?  ?     
12  1  1  A  12  GLN  C   11  A  ?        ?     ?     ?     ?  ?     
13  1  1  A  12  GLN  C   11  B  ?        ?     ?     ?     ?  ?     
14  1  1  A  13  VAL  C   12  A  ?        ?     1     ?     ?  ?     
15  1  1  A  13  VAL  C   12  B  ?        ?     ?     1     ?  ?     
16  1  1  A  14  ARG  C   13  A  ?        ?     ?     ?     ?  ?     
17  1  1  A  15  GLY  C   14  .  ?        ?     ?     ?     ?  ?     
18  1  1  A  16  GLY  C   15  .  ?        ?     ?     ?     ?  ?     
19  1  1  A  17  TYR  C   16  .  ?        ?     ?     ?     ?  ?     
20  1  1  A  18  CYS  C   17  .  ?        ?     ?     ?     ?  ?     
21  1  1  A  19  THR  C   18  .  ?        ?     ?     ?     ?  ?     
22  1  1  A  20  ASN  C   19  .  ?        ?     ?     ?     ?  ?     
23  1  1  A  21  CYS  C   20  .  ?        ?     ?     ?     ?  ?     
24  1  1  A  22  GLY  C   21  .  ?        ?     ?     ?     ?  ?     
25  1  1  A  23  ALA  C   22  .  ?        ?     ?     ?     ?  ?     
26  1  1  A  24  SER  C   23  .  ?        ?     ?     ?     ?  ?     
27  1  1  A  25  AIB  C   24  .  ?        ?     ?     ?     ?  ?     
28  1  1  A  26  ASP  C   25  A  ?        1     ?     ?     ?  ?     
29  1  1  A  26  ASP  C   25  B  ?        1     ?     ?     ?  ?     
30  1  1  A  27  ARG  C   26  .  ?        ?     ?     ?     ?  ?     
31  1  1  A  28  ILE  C   27  .  ?        ?     1     ?     ?  ?     
32  1  1  A  29  ARG  C   28  .  ?        ?     ?     ?     ?  ?     
33  1  1  A  30  NH2  C   29  .  ?        ?     ?     ?     ?  ?     
34  1  2  B   .  ZN   C  101  .  ?        ?     ?     ?     ?  Y     
35  1  3  C   .  HOH  C  201  .  ?        ?     ?     ?     ?  ?     
36  1  3  C   .  HOH  C  202  .  ?        ?     ?     ?     ?  ?     
37  1  3  C   .  HOH  C  203  .  ?        ?     ?     ?     ?  ?     
38  1  3  C   .  HOH  C  204  .  ?        ?     ?     ?     ?  ?     
39  1  3  C   .  HOH  C  205  .  ?        ?     ?     ?     ?  ?     
40  1  3  C   .  HOH  C  206  .  ?        ?     ?     ?     ?  ?     
41  1  3  C   .  HOH  C  207  .  ?        ?     ?     ?     ?  ?     
42  1  3  C   .  HOH  C  208  .  ?        ?     ?     ?     ?  ?     
43  1  3  C   .  HOH  C  209  .  ?        ?     ?     ?     ?  ?     
44  1  3  C   .  HOH  C  210  .  ?        ?     ?     ?     ?  ?     
45  1  3  C   .  HOH  C  211  .  ?        ?     ?     ?     ?  ?     
46  1  3  C   .  HOH  C  212  .  ?        ?     ?     ?     ?  ?     
47  1  3  C   .  HOH  C  213  .  ?        ?     ?     ?     ?  ?     
48  1  3  C   .  HOH  C  214  .  ?        ?     ?     ?     ?  ?     
49  1  3  C   .  HOH  C  215  .  ?        ?     ?     ?     ?  ?     
50  1  3  C   .  HOH  C  216  .  ?        ?     ?     ?     ?  ?     
51  1  3  C   .  HOH  C  217  .  ?        ?     ?     ?     ?  ?     
52  1  3  C   .  HOH  C  218  .  ?        ?     ?     ?     ?  ?     
53  1  3  C   .  HOH  C  219  .  ?        ?     ?     ?     ?  ?     
54  1  3  C   .  HOH  C  220  .  ?        ?     ?     ?     ?  ?     
55  1  3  C   .  HOH  C  221  .  ?        ?     ?     1     ?  ?     
56  1  3  C   .  HOH  C  222  .  ?        ?     ?     ?     ?  ?     
57  1  3  C   .  HOH  C  223  .  ?        ?     ?     ?     ?  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
 1   1  ?            ?      ?  ?           3  15.330     1  0.27     2  0.43  molprobity  1.000  
 2   2  p90     -152.2  157.4  Favored     9  13.840    13  0.66    18  0.52  molprobity  1.000  
 3   3  t        -80.0  121.0  Favored     4  11.660     6  0.42     8  0.70  molprobity  1.000  
 4   4  p        -67.8  -23.5  Favored     5  13.990     6  0.37     8  0.51  molprobity  1.000  
 5   5  m-20     -79.8  -36.5  Favored     4  15.540     8  0.26    11  0.95  molprobity  1.000  
 6   6  p       -129.0  -10.5  Favored     4  12.630     6  0.32     8  0.85  molprobity  1.000  
 7   7  ?         90.7   -3.4  Favored     3  13.480     4  0.32     5  0.54  molprobity  1.000  
 8   8  ?        -61.2  149.7  Favored     5  13.410     5  0.33     7  0.62  molprobity  1.000  
 9   9  t70      -63.5  139.2  Favored     4  22.490     7  0.29     8  0.67  molprobity  1.000  
10  10  ?            ?      ?  ?           7  13.880     1  0.72     2  0.58  mogul       1.000  
11  11  p        -62.4  -12.6  Favored     5  18.860     6  0.37     8  0.41  molprobity  1.000  
12  12  mm-40    -98.7   16.6  Favored     6  20.440     9  0.36    12  0.47  molprobity  1.000  
13  13  mm-40    -98.7   16.6  Favored     6  20.440     9  0.36    12  0.47  molprobity  1.000  
14  14  t        -99.8  134.4  Favored     7  14.470     7  0.71    10  0.53  molprobity  0.961  
15  15  t        -99.8  134.4  Favored     4  14.470     7  0.71    10  0.53  molprobity  0.961  
16  16  mmt-85  -152.3  145.1  Favored    11  18.460    11  0.54    14  1.18  molprobity  0.955  
17  17  ?         64.9   19.7  Favored     3  12.530     4  0.53     5  0.55  molprobity  1.000  
18  18  ?         91.4    8.4  Favored     3  10.770     4  0.59     5  0.77  molprobity  1.000  
19  19  m-85    -141.7  149.1  Favored     9  12.970    13  0.64    18  0.69  molprobity  1.000  
20  20  t        -64.4  122.5  Favored     4  10.600     6  0.41     8  0.54  molprobity  1.000  
21  21  p        -76.1   -5.5  Favored     7  11.160     7  0.38    10  0.50  molprobity  1.000  
22  22  t30      -90.0  -56.4  Favored     6  12.890     8  0.16    11  0.35  molprobity  1.000  
23  23  p       -106.8   -5.2  Favored     4  11.490     6  0.70     8  0.77  molprobity  1.000  
24  24  ?         78.2    9.9  Favored     3  11.410     4  0.64     5  0.64  molprobity  1.000  
25  25  ?        -61.4  145.9  Favored     5  10.940     5  0.53     7  0.54  molprobity  1.000  
26  26  p        -62.6  151.2  Favored     5  12.130     5  0.54     5  0.29  molprobity  1.000  
27  27  ?            ?      ?  ?           7  13.180     1  0.89     2  0.62  mogul       1.000  
28  28  p-10     -51.0  -27.4  Favored     2  23.150     8  0.39    11  2.43  molprobity  1.000  
29  29  p-10     -51.0  -27.4  Favored     2  23.150     8  0.39    11  2.43  molprobity  1.000  
30  30  mpt_?    -80.6   -8.4  Favored    13  15.150    11  0.35    14  0.77  molprobity  1.000  
31  31  mm       -76.0  138.3  Favored    11  15.170     8  0.33    11  0.44  molprobity  1.000  
32  32  mtp85   -132.1  161.9  Favored    13  32.300    10  0.25    11  0.64  molprobity  1.000  
33  33  ?            ?      ?  ?           ?  20.770     ?     ?     ?     ?  ?           1.000  
34  34  ?            ?      ?  ?           ?  12.910     ?     ?     ?     ?  ?           1.000  
35  35  ?            ?      ?  ?           ?  32.380     ?     ?     ?     ?  ?           1.000  
36  36  ?            ?      ?  ?           ?  17.660     ?     ?     ?     ?  ?           0.500  
37  37  ?            ?      ?  ?           ?  35.180     ?     ?     ?     ?  ?           1.000  
38  38  ?            ?      ?  ?           ?  26.250     ?     ?     ?     ?  ?           1.000  
39  39  ?            ?      ?  ?           ?  40.790     ?     ?     ?     ?  ?           0.500  
40  40  ?            ?      ?  ?           ?  14.830     ?     ?     ?     ?  ?           1.000  
41  41  ?            ?      ?  ?           ?  36.120     ?     ?     ?     ?  ?           1.000  
42  42  ?            ?      ?  ?           ?  27.780     ?     ?     ?     ?  ?           1.000  
43  43  ?            ?      ?  ?           ?  16.930     ?     ?     ?     ?  ?           1.000  
44  44  ?            ?      ?  ?           ?  26.200     ?     ?     ?     ?  ?           1.000  
45  45  ?            ?      ?  ?           ?  32.480     ?     ?     ?     ?  ?           1.000  
46  46  ?            ?      ?  ?           ?  15.140     ?     ?     ?     ?  ?           1.000  
47  47  ?            ?      ?  ?           ?  24.320     ?     ?     ?     ?  ?           1.000  
48  48  ?            ?      ?  ?           ?  34.990     ?     ?     ?     ?  ?           1.000  
49  49  ?            ?      ?  ?           ?  20.410     ?     ?     ?     ?  ?           1.000  
50  50  ?            ?      ?  ?           ?  23.340     ?     ?     ?     ?  ?           1.000  
51  51  ?            ?      ?  ?           ?  29.360     ?     ?     ?     ?  ?           1.000  
52  52  ?            ?      ?  ?           ?  24.730     ?     ?     ?     ?  ?           1.000  
53  53  ?            ?      ?  ?           ?  38.090     ?     ?     ?     ?  ?           1.000  
54  54  ?            ?      ?  ?           ?  17.080     ?     ?     ?     ?  ?           0.500  
55  55  ?            ?      ?  ?           ?  29.730     ?     ?     ?     ?  ?           1.000  
56  56  ?            ?      ?  ?           ?  24.780     ?     ?     ?     ?  ?           1.000  
57  57  ?            ?      ?  ?           ?  18.980     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
1  14  HG21  1  0.50  1.92  
2  31  HG13  1  0.50  1.92  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1  15  CG1  0  1_555  0.07  2.13  
2  55  O    0  6_554  0.07  2.13  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1  28  N  CA  CB  123.287  110.600  1.800  7.05  
2  29  N  CA  CB  123.287  110.600  1.800  7.05  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  10  O  C  CA  CB1  -80.85  47.46  42  21.14  10.88  0.00  
2  10  O  C  CA  CB2   34.19  56.86  42  30.33   9.74  2.38  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
 1   1   3  0.973  0.050       ?  
 2   2  12  0.969  0.049  -0.767  
 3   3   6  0.996  0.041  -0.851  
 4   4   6  0.981  0.038  -0.847  
 5   5   8  0.979  0.042  -0.844  
 6   6   6  0.992  0.049  -0.567  
 7   7   4  0.980  0.041  -0.717  
 8   8   5  0.991  0.034  -1.040  
 9   9   8  0.925  0.105   0.322  
10  10   6  0.982  0.051       ?  
11  11   6  0.959  0.064  -0.303  
12  12  14  0.913  0.144   0.939  
13  13  14  0.913  0.144   0.939  
14  14   8  0.954  0.088   0.371  
15  15   8  0.954  0.088   0.371  
16  16  11  0.944  0.083  -0.218  
17  17   4  0.985  0.042  -0.694  
18  18   4  0.971  0.060  -0.286  
19  19  12  0.977  0.057  -0.490  
20  20   6  0.995  0.038  -0.957  
21  21   7  0.982  0.042  -0.855  
22  22   8  0.979  0.044  -0.783  
23  23   6  0.994  0.047  -0.638  
24  24   4  0.989  0.065  -0.172  
25  25   5  0.986  0.044  -0.772  
26  26   6  0.976  0.053  -0.533  
27  27   6  0.983  0.049       ?  
28  28  12  0.924  0.134   0.859  
29  29  12  0.924  0.134   0.859  
30  30  11  0.970  0.047  -0.913  
31  31   8  0.945  0.075  -0.127  
32  32  11  0.889  0.157   1.210  
33  33   1  0.936  0.083       ?  
34  34   1  1.000  0.014       ?  
35  35   1  0.776  0.132       ?  
36  36   1  0.967  0.157       ?  
37  37   1  0.851  0.162       ?  
38  38   1  0.933  0.095       ?  
39  39   1  0.590  0.203       ?  
40  40   1  0.980  0.070       ?  
41  41   1  0.787  0.119       ?  
42  42   1  0.955  0.075       ?  
43  43   1  0.978  0.060       ?  
44  44   1  0.958  0.151       ?  
45  45   1  0.934  0.103       ?  
46  46   1  0.976  0.072       ?  
47  47   1  0.913  0.087       ?  
48  48   1  0.850  0.105       ?  
49  49   1  0.939  0.214       ?  
50  50   1  0.959  0.061       ?  
51  51   1  0.907  0.083       ?  
52  52   1  0.964  0.062       ?  
53  53   1  0.791  0.128       ?  
54  54   1  0.831  0.114       ?  
55  55   1  0.911  0.418       ?  
56  56   1  0.920  0.102       ?  
57  57   1  0.988  0.049       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
