data_3BKF

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3BKF
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3BKF
_pdbx_vrpt_summary.PDB_deposition_date         2007-12-06
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-08-30
_pdbx_vrpt_summary.report_creation_date        2023-08-23:10:37
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Nickel-responsive regulator"  
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  2  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.9  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   55.43  141614     ?     ?  
 2  2  1   51.07    6847  1.90  1.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6760  1.90  1.90  
 5  1  3   56.63  138945     ?     ?  
 6  2  3   52.54    6760  1.90  1.90  
 7  1  4    1.22  127900     ?     ?  
 8  2  4    1.28    6082  1.90  1.90  
 9  1  5   19.18  130704     ?     ?  
10  2  5    7.74    6207  1.90  1.90  
#
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  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   56.63  
4  6  3  A  1  1  A   52.54  
5  7  4  A  1  1  A    1.22  
6  8  4  A  1  1  A    1.28  
#
_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     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.54
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.30
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   518
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  702
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.85
_pdbx_vrpt_summary_geometry.clashscore                     5.07
_pdbx_vrpt_summary_geometry.num_H_reduce                   476
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 518
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.30
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                702
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.54
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 106.892
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            57.175
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         38.754
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.45(1.89A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        11704
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.394
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.356
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.481
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.314
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.927
_pdbx_vrpt_summary_diffraction.DCC_R                     0.27
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               40.03
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.075,38.075,40.680,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.067
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.70% of the height of the origin peak. No significant pseudotranslation is detected."
_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         99.13
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      564
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.82
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     16.67
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        40.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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_clashes
 1  1  1  A   2  GLY  A   49  .  ?        ?  
 2  1  1  A   3  THR  A   50  .  ?        1  
 3  1  1  A   4  GLN  A   51  .  ?        ?  
 4  1  1  A   5  GLY  A   52  .  ?        ?  
 5  1  1  A   6  PHE  A   53  .  ?        ?  
 6  1  1  A   7  ALA  A   54  .  ?        ?  
 7  1  1  A   8  VAL  A   55  .  ?        ?  
 8  1  1  A   9  LEU  A   56  .  ?        ?  
 9  1  1  A  10  SER  A   57  .  ?        ?  
10  1  1  A  11  TYR  A   58  .  ?        ?  
11  1  1  A  12  VAL  A   59  .  ?        ?  
12  1  1  A  13  TYR  A   60  .  ?        ?  
13  1  1  A  14  GLU  A   61  .  ?        1  
14  1  1  A  32  HIS  A   79  .  ?        ?  
15  1  1  A  33  ASP  A   80  .  ?        ?  
16  1  1  A  34  LEU  A   81  .  ?        ?  
17  1  1  A  35  SER  A   82  .  ?        ?  
18  1  1  A  36  VAL  A   83  .  ?        ?  
19  1  1  A  37  ALA  A   84  .  ?        ?  
20  1  1  A  38  THR  A   85  .  ?        ?  
21  1  1  A  39  LEU  A   86  .  ?        ?  
22  1  1  A  40  HIS  A   87  .  ?        ?  
23  1  1  A  41  VAL  A   88  .  ?        ?  
24  1  1  A  42  HIS  A   89  .  ?        ?  
25  1  1  A  43  ILE  A   90  .  ?        ?  
26  1  1  A  44  ASN  A   91  .  ?        ?  
27  1  1  A  45  HIS  A   92  .  ?        ?  
28  1  1  A  46  ASP  A   93  .  ?        1  
29  1  1  A  47  ASP  A   94  .  ?        ?  
30  1  1  A  48  CYS  A   95  .  ?        ?  
31  1  1  A  49  LEU  A   96  .  ?        ?  
32  1  1  A  50  GLU  A   97  .  ?        ?  
33  1  1  A  51  ILE  A   98  .  ?        ?  
34  1  1  A  52  ALA  A   99  .  ?        ?  
35  1  1  A  53  VAL  A  100  .  ?        ?  
36  1  1  A  54  LEU  A  101  .  ?        ?  
37  1  1  A  55  LYS  A  102  .  ?        ?  
38  1  1  A  56  GLY  A  103  .  ?        ?  
39  1  1  A  57  ASP  A  104  .  ?        ?  
40  1  1  A  58  MET  A  105  .  ?        1  
41  1  1  A  59  GLY  A  106  .  ?        ?  
42  1  1  A  60  ASP  A  107  .  ?        ?  
43  1  1  A  61  VAL  A  108  .  ?        ?  
44  1  1  A  62  GLN  A  109  .  ?        ?  
45  1  1  A  63  HIS  A  110  .  ?        ?  
46  1  1  A  64  PHE  A  111  .  ?        ?  
47  1  1  A  65  ALA  A  112  .  ?        1  
48  1  1  A  66  ASP  A  113  .  ?        ?  
49  1  1  A  67  ASP  A  114  .  ?        ?  
50  1  1  A  68  VAL  A  115  .  ?        ?  
51  1  1  A  69  ILE  A  116  .  ?        3  
52  1  1  A  70  ALA  A  117  .  ?        ?  
53  1  1  A  71  GLN  A  118  .  ?        ?  
54  1  1  A  72  ARG  A  119  .  ?        ?  
55  1  1  A  73  GLY  A  120  .  ?        ?  
56  1  1  A  74  VAL  A  121  .  ?        ?  
57  1  1  A  75  ARG  A  122  .  ?        ?  
58  1  1  A  76  HIS  A  123  .  ?        ?  
59  1  1  A  77  GLY  A  124  .  ?        ?  
60  1  1  A  78  HIS  A  125  .  ?        ?  
61  1  1  A  79  LEU  A  126  .  ?        ?  
62  1  1  A  80  GLN  A  127  .  ?        1  
63  1  1  A  81  CYS  A  128  .  ?        ?  
64  1  1  A  82  LEU  A  129  .  ?        ?  
65  1  1  A  83  PRO  A  130  .  ?        ?  
66  1  1  A  84  LYS  A  131  .  ?        ?  
67  1  2  B   .  ZN   A  500  .  ?        ?  
68  1  2  C   .  ZN   A  501  .  ?        ?  
69  1  3  D   .  HOH  A    1  .  ?        ?  
70  1  3  D   .  HOH  A    2  .  ?        ?  
71  1  3  D   .  HOH  A    3  .  ?        ?  
72  1  3  D   .  HOH  A    4  .  ?        ?  
73  1  3  D   .  HOH  A    5  .  ?        ?  
74  1  3  D   .  HOH  A    6  .  ?        ?  
75  1  3  D   .  HOH  A    7  .  ?        ?  
76  1  3  D   .  HOH  A    8  .  ?        ?  
77  1  3  D   .  HOH  A    9  .  ?        ?  
78  1  3  D   .  HOH  A   10  .  ?        ?  
79  1  3  D   .  HOH  A   11  .  ?        ?  
80  1  3  D   .  HOH  A   12  .  ?        ?  
81  1  3  D   .  HOH  A   13  .  ?        ?  
82  1  3  D   .  HOH  A   14  .  ?        ?  
83  1  3  D   .  HOH  A   15  .  ?        ?  
84  1  3  D   .  HOH  A   16  .  ?        ?  
85  1  3  D   .  HOH  A   17  .  ?        ?  
86  1  3  D   .  HOH  A   18  .  ?        ?  
87  1  3  D   .  HOH  A   19  .  ?        ?  
88  1  3  D   .  HOH  A   20  .  ?        ?  
89  1  3  D   .  HOH  A   21  .  ?        ?  
90  1  3  D   .  HOH  A   22  .  ?        1  
#
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  ?             ?       ?  ?           2  72.990     4  1.17     5  0.20  molprobity  1.000  
 2   2  p        -104.5   -18.8  Favored     7  69.930     7  0.26    10  0.63  molprobity  1.000  
 3   3  mm-40    -112.0   141.5  Favored     8  65.450     9  0.25    12  0.37  molprobity  1.000  
 4   4  ?         169.7  -147.8  Favored     3  50.060     4  0.27     5  0.47  molprobity  1.000  
 5   5  m-85     -125.2   166.2  Favored     9  46.420    12  0.57    16  0.33  molprobity  1.000  
 6   6  ?        -154.7   154.9  Favored     5  32.610     5  0.34     7  0.31  molprobity  1.000  
 7   7  t        -121.9   117.0  Favored     9  28.270     7  0.39    10  0.98  molprobity  1.000  
 8   8  tp       -106.5   121.1  Favored    11  26.940     8  0.34    11  0.65  molprobity  1.000  
 9   9  p        -125.0   147.5  Favored     5  30.320     6  0.18     8  0.26  molprobity  1.000  
10  10  p90      -167.2   162.9  Favored     9  31.170    13  0.36    18  0.33  molprobity  1.000  
11  11  t        -106.5   129.6  Favored     9  37.420     7  0.24    10  0.71  molprobity  1.000  
12  12  t80      -101.6   131.0  Favored     9  57.450    13  0.43    18  0.39  molprobity  1.000  
13  13  pt-20         ?       ?  ?           6  65.840     8  0.14     9  0.38  molprobity  1.000  
14  14  t-160         ?       ?  ?           6  76.220    11  0.12    15  0.36  molprobity  1.000  
15  15  m-20       68.8    -4.4  Allowed     4  68.750     8  0.16    11  0.29  molprobity  1.000  
16  16  tp       -100.0   -28.9  Favored    11  55.760     8  0.23    11  0.78  molprobity  1.000  
17  17  m         -81.1   124.0  Favored     5  49.030     6  0.24     8  0.29  molprobity  1.000  
18  18  t         -89.8   -46.3  Favored     9  38.880     7  0.20    10  0.81  molprobity  1.000  
19  19  ?        -160.5   145.7  Favored     5  30.340     5  0.34     7  0.46  molprobity  1.000  
20  20  m        -131.4   131.8  Favored     7  32.210     7  0.36    10  0.71  molprobity  1.000  
21  21  tp       -113.7   130.9  Favored    11  30.650     8  0.29    11  0.48  molprobity  1.000  
22  22  m-70     -113.0   127.0  Favored     7  35.950    11  0.19    15  0.63  molprobity  1.000  
23  23  t        -129.2   130.2  Favored     9  36.570     7  0.26    10  0.71  molprobity  1.000  
24  24  m170      -82.8   129.1  Favored     7  55.070    11  0.18    15  0.44  molprobity  1.000  
25  25  mt        -90.5   -41.4  Favored    11  60.030     8  0.22    11  0.63  molprobity  1.000  
26  26  p30      -168.8  -171.6  Allowed     6  68.040     8  0.18    11  0.33  molprobity  1.000  
27  27  m-70      -50.3   -38.6  Favored     7  71.660    11  0.15    15  0.46  molprobity  1.000  
28  28  OUTLIER  -101.2   -29.2  Favored     4  66.300     8  0.13    11  0.96  molprobity  1.000  
29  29  m-20     -109.5   136.7  Favored     4  55.510     8  0.15    11  0.99  molprobity  1.000  
30  30  t        -119.9   129.7  Favored     4  42.440     6  0.50     8  0.52  molprobity  1.000  
31  31  tp        -91.0   124.7  Favored    11  32.750     8  0.22    11  0.88  molprobity  1.000  
32  32  mt-10    -118.4   132.0  Favored     6  36.030     9  0.22    12  0.33  molprobity  1.000  
33  33  mm       -122.1   119.8  Favored    11  33.150     8  0.22    11  0.78  molprobity  1.000  
34  34  ?        -115.9   128.0  Favored     5  29.060     5  0.33     7  0.26  molprobity  1.000  
35  35  t         -97.4   119.6  Favored     9  30.850     7  0.47    10  0.82  molprobity  1.000  
36  36  mt       -113.9   155.9  Favored    11  33.710     8  0.26    11  0.52  molprobity  1.000  
37  37  pttt     -151.1   138.5  Favored    13  47.130     9  0.24    11  0.48  molprobity  1.000  
38  38  ?         144.4  -154.8  Favored     3  43.970     4  0.39     5  0.81  molprobity  1.000  
39  39  t70       -67.5   126.7  Favored     4  50.000     8  0.18    11  0.36  molprobity  1.000  
40  40  mmm       -55.2   -25.8  Favored     9  49.220     8  0.30    10  0.37  molprobity  1.000  
41  41  ?         -71.7   -41.8  Favored     3  38.780     4  0.38     5  0.70  molprobity  1.000  
42  42  m-20      -69.1   -32.9  Favored     4  42.570     8  0.17    11  0.39  molprobity  1.000  
43  43  t         -64.7   -46.6  Favored     9  33.870     7  0.18    10  0.47  molprobity  1.000  
44  44  tp60      -61.4   -40.3  Favored     8  32.540     9  0.25    12  0.34  molprobity  1.000  
45  45  m170      -66.3   -34.1  Favored     7  35.930    11  0.24    15  0.40  molprobity  1.000  
46  46  t80       -65.3   -49.5  Favored     9  37.500    12  0.53    16  0.43  molprobity  1.000  
47  47  ?         -59.2   -39.6  Favored     5  32.460     5  0.16     7  0.28  molprobity  1.000  
48  48  m-20      -56.0   -48.8  Favored     4  36.950     8  0.17    11  0.37  molprobity  1.000  
49  49  m-20      -62.4   -40.3  Favored     4  39.730     8  0.20    11  0.30  molprobity  1.000  
50  50  t         -65.6   -48.2  Favored     9  31.000     7  0.31    10  0.57  molprobity  1.000  
51  51  mp        -66.9   -22.6  Favored    11  35.610     8  0.32    11  0.59  molprobity  1.000  
52  52  ?         -73.9   -11.9  Favored     5  37.270     5  0.33     7  0.21  molprobity  1.000  
53  53  mm-40     -79.8   135.9  Favored     8  43.740     9  0.24    12  0.52  molprobity  1.000  
54  54  mtt-85    -63.3   146.9  Favored    13  48.130    11  0.21    14  0.60  molprobity  1.000  
55  55  ?          88.8   -17.7  Favored     3  41.680     4  0.23     5  0.16  molprobity  1.000  
56  56  t         -90.1   122.4  Favored     9  38.450     7  0.23    10  0.60  molprobity  1.000  
57  57  mtm-85   -131.7   159.0  Favored    13  47.600    11  0.22    14  0.58  molprobity  1.000  
58  58  m-70       57.1    37.6  Favored     7  41.570    11  0.15    15  0.47  molprobity  1.000  
59  59  ?         -68.2   133.2  Favored     3  36.780     4  0.28     5  0.31  molprobity  1.000  
60  60  t60      -139.8   134.5  Favored     7  36.840    11  0.26    15  0.46  molprobity  1.000  
61  61  tp       -118.2   118.9  Favored    11  33.860     8  0.34    11  0.42  molprobity  1.000  
62  62  tt0      -105.5   114.1  Favored     8  43.680     9  0.28    12  0.52  molprobity  1.000  
63  63  m         -91.0   144.3  Favored     5  46.120     6  0.30     8  0.47  molprobity  1.000  
64  64  mt       -133.1    79.8  Favored    11  50.520     8  0.16    12  0.40  molprobity  1.000  
65  65  Cg_endo   -63.9   144.1  Favored     7  54.020     8  0.18    11  0.51  molprobity  1.000  
66  66  ?             ?       ?  ?           2  58.380     4  0.58     4  0.48  molprobity  1.000  
67  67  ?             ?       ?  ?           ?  46.240     ?     ?     ?     ?  ?           0.250  
68  68  ?             ?       ?  ?           ?  48.530     ?     ?     ?     ?  ?           0.570  
69  69  ?             ?       ?  ?           ?  71.100     ?     ?     ?     ?  ?           1.000  
70  70  ?             ?       ?  ?           ?  46.350     ?     ?     ?     ?  ?           1.000  
71  71  ?             ?       ?  ?           ?  36.870     ?     ?     ?     ?  ?           1.000  
72  72  ?             ?       ?  ?           ?  47.000     ?     ?     ?     ?  ?           1.000  
73  73  ?             ?       ?  ?           ?  66.760     ?     ?     ?     ?  ?           1.000  
74  74  ?             ?       ?  ?           ?  54.870     ?     ?     ?     ?  ?           1.000  
75  75  ?             ?       ?  ?           ?  62.750     ?     ?     ?     ?  ?           1.000  
76  76  ?             ?       ?  ?           ?  39.390     ?     ?     ?     ?  ?           1.000  
77  77  ?             ?       ?  ?           ?  46.420     ?     ?     ?     ?  ?           1.000  
78  78  ?             ?       ?  ?           ?  80.960     ?     ?     ?     ?  ?           1.000  
79  79  ?             ?       ?  ?           ?  72.140     ?     ?     ?     ?  ?           1.000  
80  80  ?             ?       ?  ?           ?  67.870     ?     ?     ?     ?  ?           1.000  
81  81  ?             ?       ?  ?           ?  69.330     ?     ?     ?     ?  ?           1.000  
82  82  ?             ?       ?  ?           ?  66.530     ?     ?     ?     ?  ?           1.000  
83  83  ?             ?       ?  ?           ?  62.130     ?     ?     ?     ?  ?           1.000  
84  84  ?             ?       ?  ?           ?  77.610     ?     ?     ?     ?  ?           1.000  
85  85  ?             ?       ?  ?           ?  71.210     ?     ?     ?     ?  ?           1.000  
86  86  ?             ?       ?  ?           ?  58.710     ?     ?     ?     ?  ?           1.000  
87  87  ?             ?       ?  ?           ?  46.720     ?     ?     ?     ?  ?           1.000  
88  88  ?             ?       ?  ?           ?  48.490     ?     ?     ?     ?  ?           1.000  
89  89  ?             ?       ?  ?           ?  57.840     ?     ?     ?     ?  ?           1.000  
90  90  ?             ?       ?  ?           ?  60.470     ?     ?     ?     ?  ?           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   2  O     1  0.51  2.11  
 2  13  HG3   2  0.71  1.91  
 3  28  O     2  0.71  1.91  
 4  40  HG2   1  0.51  2.11  
 5  47  O     3  0.45  2.16  
 6  51  HD13  3  0.45  2.16  
 7  51  HD12  4  0.41  2.35  
 8  51  N     4  0.41  2.35  
 9  62  HG3   5  0.47  2.15  
10  90  O     5  0.47  2.15  
#
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   4  0.804  0.247   2.587  
 2   2   7  0.791  0.225   2.339  
 3   3   9  0.816  0.177   0.753  
 4   4   4  0.872  0.165   1.123  
 5   5  11  0.944  0.146   0.949  
 6   6   5  0.964  0.217   2.342  
 7   7   7  0.957  0.195   1.929  
 8   8   8  0.957  0.144   0.711  
 9   9   6  0.917  0.157   0.858  
10  10  12  0.920  0.115   0.278  
11  11   7  0.958  0.104  -0.093  
12  12  12  0.684  0.287   4.222  
13  13   9  0.611  0.276   1.903  
14  14  10  0.781  0.334   3.935  
15  15   8  0.639  0.202   1.325  
16  16   8  0.908  0.152   0.890  
17  17   6  0.894  0.152   0.769  
18  18   7  0.869  0.156   1.062  
19  19   5  0.954  0.140   0.774  
20  20   7  0.967  0.126   0.401  
21  21   8  0.909  0.206   2.098  
22  22  10  0.824  0.197   1.532  
23  23   7  0.878  0.166   1.284  
24  24  10  0.555  0.339   4.023  
25  25   8  0.859  0.187   1.712  
26  26   8  0.597  0.247   2.190  
27  27  10  0.558  0.468   6.286  
28  28   8  0.665  0.404   4.547  
29  29   8  0.850  0.152   0.528  
30  30   6  0.879  0.115   0.570  
31  31   8  0.962  0.137   0.555  
32  32   9  0.887  0.142   0.010  
33  33   8  0.921  0.183   1.621  
34  34   5  0.950  0.190   1.792  
35  35   7  0.954  0.176   1.507  
36  36   8  0.928  0.143   0.689  
37  37   9  0.894  0.227   1.178  
38  38   4  0.934  0.108   0.105  
39  39   8  0.781  0.231   1.788  
40  40   8  0.894  0.178   1.372  
41  41   4  0.936  0.148   0.820  
42  42   8  0.910  0.151   0.512  
43  43   7  0.974  0.149   0.907  
44  44   9  0.957  0.121  -0.116  
45  45  10  0.912  0.124   0.251  
46  46  11  0.902  0.141   0.833  
47  47   5  0.948  0.119   0.346  
48  48   8  0.916  0.123   0.065  
49  49   8  0.892  0.175   0.895  
50  50   7  0.929  0.120   0.262  
51  51   8  0.942  0.126   0.320  
52  52   5  0.913  0.167   1.324  
53  53   9  0.834  0.223   1.467  
54  54  11  0.856  0.272   2.173  
55  55   4  0.937  0.129   0.480  
56  56   7  0.935  0.087  -0.471  
57  57  11  0.749  0.248   1.802  
58  58  10  0.940  0.129   0.339  
59  59   4  0.958  0.122   0.355  
60  60  10  0.950  0.128   0.321  
61  61   8  0.943  0.176   1.427  
62  62   9  0.812  0.239   1.716  
63  63   6  0.903  0.142   1.249  
64  64   8  0.926  0.128   0.353  
65  65   7  0.872  0.146   0.762  
66  66   5  0.639  0.259   1.643  
67  67   1  0.791  0.198       ?  
68  68   1  0.936  0.081       ?  
69  69   1  0.897  0.440       ?  
70  70   1  0.870  0.906       ?  
71  71   1  0.955  0.104       ?  
72  72   1  0.830  0.141       ?  
73  73   1  0.885  0.359       ?  
74  74   1  0.710  0.313       ?  
75  75   1  0.808  0.263       ?  
76  76   1  0.906  0.242       ?  
77  77   1  0.710  0.351       ?  
78  78   1  0.569  0.162       ?  
79  79   1  0.808  0.494       ?  
80  80   1  0.748  0.437       ?  
81  81   1  0.691  0.209       ?  
82  82   1  0.555  0.238       ?  
83  83   1  0.914  0.101       ?  
84  84   1  0.701  0.209       ?  
85  85   1  0.878  0.551       ?  
86  86   1  0.861  0.294       ?  
87  87   1  0.872  0.550       ?  
88  88   1  0.880  0.431       ?  
89  89   1  0.873  0.339       ?  
90  90   1  0.854  0.251       ?  
#
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        unknown                                                               Y  
3  eds          2.35                                                                  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  
##
