data_9KLT

_entry.id  9KLT
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1  polymer      man  "Protein LG"                                           7265.997  1  ?  D365E/N365H/D375P/A376E  ?  ?  
2  non-polymer  syn  "4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID"   238.305  1  ?  ?                        ?  ?  
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A  ?     N  1  ?  
B  ?     N  2  ?  
#
_pdbx_vrpt_database.id             PDB
_pdbx_vrpt_database.code           9KLT
_pdbx_vrpt_database.extended_code  pdb_00009klt
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    9KLT
_pdbx_vrpt_summary.extended_entry_id           pdb_00009klt
_pdbx_vrpt_summary.PDB_deposition_date         2024-11-15
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2026-01-28
_pdbx_vrpt_summary.report_creation_date        2026-03-04:21:22
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,validation_schema,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      "Protein LG"  
2  non-polymer  "4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.88  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   63.20  190562     ?     ?  
 2  2  1   84.35    3801  2.86  2.90  
 3  1  2  100.00  187476     ?     ?  
 4  2  2  100.00    3699  2.86  2.90  
 5  1  3  100.00  187428     ?     ?  
 6  2  3  100.00    3702  2.86  2.90  
 7  1  4   25.74  180081     ?     ?  
 8  2  4   20.15    3558  2.86  2.90  
 9  1  5   19.45  180053     ?     ?  
10  2  5   50.45    3557  2.86  2.90  
#
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  100.00  
4  6  3  A  1  1  A  100.00  
5  7  4  A  1  1  A   25.74  
6  8  4  A  1  1  A   20.15  
#
_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      0.62
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.42
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   504
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  688
#
_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                     4.02
_pdbx_vrpt_summary_geometry.num_H_reduce                   488
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 504
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.42
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                688
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.62
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            57.035
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         75.609
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.84(2.88A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3202
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.348
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.496
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.334
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.945
_pdbx_vrpt_summary_diffraction.DCC_R                     0.2285
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.2747
_pdbx_vrpt_summary_diffraction.EDS_R                     0.2436
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.88
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.73
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[127.236,84.384,38.412,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           1.066
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.03% 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          1
_pdbx_vrpt_summary_diffraction.data_completeness         98.70
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      174
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.37
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.35
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.88
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        19.73
_pdbx_vrpt_summary_diffraction.PDB_R                     0.2306
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.2749
_pdbx_vrpt_summary_diffraction.density_fitness_version   1.0.12
_pdbx_vrpt_summary_diffraction.CCP4_version              "9.0.010 (Gargrove)"
#
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
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
 1  1  1  A   4  MET  A    0  .  ?        ?     ?     ?  
 2  1  1  A   5  ASP  A    1  .  ?        ?     ?     ?  
 3  1  1  A   6  THR  A    2  .  ?        ?     ?     ?  
 4  1  1  A   7  TYR  A    3  .  ?        ?     ?     ?  
 5  1  1  A   8  LYS  A    4  .  ?        ?     ?     ?  
 6  1  1  A   9  LEU  A    5  .  ?        1     ?     ?  
 7  1  1  A  10  ILE  A    6  .  ?        ?     ?     ?  
 8  1  1  A  11  LEU  A    7  .  ?        ?     ?     ?  
 9  1  1  A  12  ASN  A    8  .  ?        ?     ?     ?  
10  1  1  A  13  GLY  A    9  .  ?        ?     ?     ?  
11  1  1  A  14  LYS  A   10  .  ?        ?     ?     ?  
12  1  1  A  15  THR  A   11  .  ?        ?     ?     ?  
13  1  1  A  16  LEU  A   12  .  ?        2     ?     ?  
14  1  1  A  17  LYS  A   13  .  ?        2     ?     ?  
15  1  1  A  18  GLY  A   14  .  ?        ?     ?     ?  
16  1  1  A  19  GLU  A   15  .  ?        ?     ?     ?  
17  1  1  A  20  THR  A   16  .  ?        ?     ?     ?  
18  1  1  A  21  THR  A   17  .  ?        ?     ?     ?  
19  1  1  A  22  THR  A   18  .  ?        ?     ?     ?  
20  1  1  A  23  GLU  A   19  .  ?        ?     ?     ?  
21  1  1  A  24  ALA  A   20  .  ?        ?     ?     ?  
22  1  1  A  25  VAL  A   21  .  ?        ?     ?     ?  
23  1  1  A  26  ASP  A   22  .  ?        ?     ?     ?  
24  1  1  A  27  ALA  A   23  .  ?        ?     ?     ?  
25  1  1  A  28  ALA  A   24  .  ?        ?     ?     ?  
26  1  1  A  29  THR  A   25  .  ?        ?     ?     ?  
27  1  1  A  30  ALA  A   26  .  ?        ?     ?     ?  
28  1  1  A  31  GLU  A   27  .  ?        ?     ?     ?  
29  1  1  A  32  LYS  A   28  .  ?        ?     ?     ?  
30  1  1  A  33  VAL  A   29  .  ?        ?     ?     ?  
31  1  1  A  34  PHE  A   30  .  ?        1     ?     ?  
32  1  1  A  35  LYS  A   31  .  ?        ?     ?     ?  
33  1  1  A  36  GLN  A   32  .  ?        ?     ?     ?  
34  1  1  A  37  TYR  A   33  .  ?        ?     ?     ?  
35  1  1  A  38  ALA  A   34  .  ?        ?     ?     ?  
36  1  1  A  39  ASN  A   35  .  ?        ?     ?     ?  
37  1  1  A  40  GLU  A   36  .  ?        ?     ?     ?  
38  1  1  A  41  HIS  A   37  .  ?        ?     ?     ?  
39  1  1  A  42  GLY  A   38  .  ?        ?     ?     ?  
40  1  1  A  43  VAL  A   39  .  ?        ?     ?     ?  
41  1  1  A  44  ASP  A   40  .  ?        ?     ?     ?  
42  1  1  A  45  PRO  A   41  .  ?        ?     ?     ?  
43  1  1  A  46  PRO  A   42  .  ?        ?     ?     ?  
44  1  1  A  47  CYS  A   43  .  ?        ?     ?     ?  
45  1  1  A  48  PRO  A   44  .  ?        ?     ?     ?  
46  1  1  A  49  PRO  A   45  .  ?        ?     ?     ?  
47  1  1  A  50  PRO  A   46  .  ?        ?     ?     ?  
48  1  1  A  51  GLY  A   47  .  ?        ?     ?     ?  
49  1  1  A  52  GLU  A   48  .  ?        ?     ?     ?  
50  1  1  A  53  TRP  A   49  .  ?        ?     ?     ?  
51  1  1  A  54  THR  A   50  .  ?        ?     ?     ?  
52  1  1  A  55  TYR  A   51  .  ?        ?     ?     ?  
53  1  1  A  56  ASP  A   52  .  ?        ?     ?     ?  
54  1  1  A  57  PRO  A   53  .  ?        ?     ?     ?  
55  1  1  A  58  GLU  A   54  .  ?        2     ?     ?  
56  1  1  A  59  THR  A   55  .  ?        ?     ?     ?  
57  1  1  A  60  LYS  A   56  .  ?        ?     ?     ?  
58  1  1  A  61  THR  A   57  .  ?        ?     ?     ?  
59  1  1  A  62  PHE  A   58  .  ?        ?     ?     ?  
60  1  1  A  63  THR  A   59  .  ?        ?     ?     ?  
61  1  1  A  64  VAL  A   60  .  ?        ?     ?     ?  
62  1  1  A  65  THR  A   61  .  ?        ?     ?     ?  
63  1  1  A  66  GLU  A   62  .  ?        ?     ?     ?  
64  1  2  B   .  EPE  A  101  .  ?        ?     6     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  tpt           ?       ?  ?        11  106.380   8  0.27  10  0.68  molprobity  1.000  
 2   2  m-30     -126.6   162.7  Favored   4  104.430   8  0.29  11  0.30  molprobity  1.000  
 3   3  m        -104.8   117.2  Favored   7   88.080   7  0.24  10  0.37  molprobity  1.000  
 4   4  m-80     -105.1   128.3  Favored   9   84.160  13  0.44  18  0.55  molprobity  1.000  
 5   5  ttmt      -93.1   155.1  Favored  13   77.170   9  0.60  11  0.43  molprobity  1.000  
 6   6  tp       -132.9   116.7  Favored  11   64.970   8  0.48  11  0.71  molprobity  1.000  
 7   7  mp        -89.5   122.8  Favored  11   63.740   8  0.45  11  0.96  molprobity  1.000  
 8   8  mp       -106.0   127.4  Favored  11   63.880   8  0.43  11  0.54  molprobity  1.000  
 9   9  t0       -130.8    69.7  Allowed   6   79.180   8  0.52  11  0.76  molprobity  1.000  
10  10  ?         -89.7   176.4  Favored   3   78.860   4  0.33   5  0.36  molprobity  1.000  
11  11  pptt      -72.5   -24.0  Favored  13   86.040   9  0.52  11  0.54  molprobity  1.000  
12  12  p        -119.0   -30.4  Favored   7   84.770   7  0.37  10  0.55  molprobity  1.000  
13  13  tp       -102.2   146.3  Favored  11   76.320   8  0.58  11  0.67  molprobity  1.000  
14  14  tttt     -144.4   105.9  Favored  13   84.960   9  0.54  11  1.11  molprobity  1.000  
15  15  ?        -160.9  -166.2  Favored   3   67.150   4  0.20   5  0.80  molprobity  1.000  
16  16  pt0      -153.8   158.1  Favored   6   76.390   9  0.34  12  0.49  molprobity  1.000  
17  17  t        -145.2  -179.8  Favored   7   70.850   7  0.43  10  0.70  molprobity  1.000  
18  18  p        -140.0   166.3  Favored   7   75.970   7  0.38  10  0.72  molprobity  1.000  
19  19  m        -141.4   156.7  Favored   7   88.920   7  0.42  10  0.86  molprobity  1.000  
20  20  tp30     -112.7   112.0  Favored   6  100.870   9  0.41  12  0.46  molprobity  1.000  
21  21  ?        -144.1   159.1  Favored   5   99.430   5  0.19   7  0.41  molprobity  1.000  
22  22  p         -90.9   -33.6  Favored   9  105.600   7  0.18  10  0.62  molprobity  1.000  
23  23  m-30     -111.7   136.1  Favored   4  112.140   8  0.21  11  0.59  molprobity  1.000  
24  24  ?         -69.5   -22.4  Favored   5   83.280   5  0.22   7  0.37  molprobity  1.000  
25  25  ?         -73.5   -33.3  Favored   5   86.160   5  0.37   7  0.50  molprobity  1.000  
26  26  m         -55.5   -56.0  Favored   7   89.200   7  0.42  10  0.86  molprobity  1.000  
27  27  ?         -48.7   -41.5  Favored   5   79.230   5  0.23   7  0.57  molprobity  1.000  
28  28  tt0       -64.8   -47.4  Favored   6   74.880   9  0.33  12  1.00  molprobity  1.000  
29  29  ptpt      -67.0   -36.2  Favored  13   82.130   9  0.79  11  0.90  molprobity  1.000  
30  30  t         -55.5   -59.2  Favored   9   73.470   7  0.26  10  0.38  molprobity  1.000  
31  31  m-10      -63.7   -29.6  Favored   9   71.940  12  0.47  16  0.66  molprobity  1.000  
32  32  tmtt      -68.4   -44.5  Favored  13   78.080   9  0.71  11  1.32  molprobity  1.000  
33  33  tt0       -63.5   -39.5  Favored   8   84.040   9  0.56  12  0.65  molprobity  1.000  
34  34  t80       -54.5   -58.9  Favored   9   72.690  13  0.46  18  0.26  molprobity  1.000  
35  35  ?         -52.3   -38.2  Favored   5   74.690   5  0.20   7  0.24  molprobity  1.000  
36  36  m-40      -65.9   -48.7  Favored   6   79.010   8  0.38  11  0.29  molprobity  1.000  
37  37  mt-10     -58.4   -21.7  Favored   6   83.070   9  0.37  12  0.62  molprobity  1.000  
38  38  m90      -105.5    10.4  Favored   7   66.540  11  0.33  15  0.31  molprobity  1.000  
39  39  ?          79.6    15.2  Favored   3   70.320   4  0.28   5  0.40  molprobity  1.000  
40  40  t        -103.7   123.5  Favored   9   76.980   7  0.14  10  0.58  molprobity  1.000  
41  41  t0         56.1    61.0  Favored   4   76.780   8  0.28  12  0.77  molprobity  1.000  
42  42  Cg_endo   -77.3   137.9  Favored   7   77.470   8  0.53  12  0.80  molprobity  1.000  
43  43  Cg_exo    -47.9   145.4  Favored   7   81.950   8  0.60  11  0.36  molprobity  1.000  
44  44  t         -74.8   123.5  Favored   5   93.930   6  0.50   9  0.50  molprobity  1.000  
45  45  Cg_endo   -66.4   139.6  Favored   7   90.730   8  0.26  12  0.36  molprobity  1.000  
46  46  Cg_exo    -59.3   144.4  Favored   7   87.890   8  0.27  12  0.48  molprobity  1.000  
47  47  Cg_endo   -73.7   162.8  Favored   7   78.070   8  0.41  11  0.50  molprobity  1.000  
48  48  ?         -90.8   145.7  Favored   3   74.180   4  0.27   5  0.23  molprobity  1.000  
49  49  mt-10     -75.3   114.5  Favored   6   80.400   9  0.29  12  0.47  molprobity  1.000  
50  50  m100      -87.5   149.0  Favored  10   65.200  16  0.30  23  0.37  molprobity  1.000  
51  51  p        -146.0   146.6  Favored   7   66.860   7  0.36  10  0.79  molprobity  1.000  
52  52  t80      -127.2   145.4  Favored   9   69.370  13  0.30  18  0.52  molprobity  1.000  
53  53  t70      -133.0   110.0  Favored   4   75.230   8  0.44  12  0.59  molprobity  1.000  
54  54  Cg_exo    -77.2   -24.8  Favored   7   76.120   8  0.37  11  0.26  molprobity  1.000  
55  55  tp30      -51.3   -51.1  Favored   6   90.330   9  0.22  12  0.47  molprobity  1.000  
56  56  p        -103.8     8.1  Favored   7   75.640   7  0.57  10  0.59  molprobity  1.000  
57  57  mttm       42.4    49.9  Favored  13   80.970   9  0.49  11  0.72  molprobity  1.000  
58  58  m        -120.8   116.4  Favored   7   71.530   7  0.54  10  0.91  molprobity  1.000  
59  59  m-80      -84.7   155.4  Favored   9   68.560  12  0.45  16  0.62  molprobity  1.000  
60  60  p        -146.6   144.4  Favored   7   64.410   7  0.41  10  0.68  molprobity  1.000  
61  61  p        -126.5   124.5  Favored   9   63.900   7  0.27  10  0.62  molprobity  1.000  
62  62  m        -112.7   129.6  Favored   7   68.890   7  0.41  10  0.54  molprobity  1.000  
63  63  mt-10         ?       ?  ?         6   83.520   9  0.45   9  0.51  molprobity  1.000  
64  64  ?             ?       ?  ?        18   40.500  15  0.85  19  1.68  mogul       0.500  
#
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   6  HD22  1  0.47  1.96  
2  13  HD12  2  0.52  1.74  
3  13  HD12  3  0.45  2.32  
4  14  H     2  0.52  1.74  
5  14  N     3  0.45  2.32  
6  31  HB3   1  0.47  1.96  
7  55  HA    4  0.44  2.16  
8  55  OE1   4  0.44  2.16  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  64  C6   N1  C2   113.65  108.84  7458  2.15   2.23  0.00  
2  64  C9   N1  C2   118.73  111.24  2915  2.66   2.81  0.01  
3  64  C2   C3  N4   106.11  110.65  5500  2.02  -2.25  0.00  
4  64  C5   N4  C3   116.42  108.84  7458  2.15   3.52  0.01  
5  64  C7   N4  C3   117.95  111.24  2915  2.66   2.52  0.08  
6  64  O1S  S   C10  102.31  106.73    58  1.51  -2.93  1.14  
#
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal        1
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id    64
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1         C8
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2         C7
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3         N4
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4         C5
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval         -138.89
_pdbx_vrpt_instance_mogul_torsion_outliers.mean           47.16
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs         556
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev          23.70
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff        0.17
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density  4.32
#
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
_pdbx_vrpt_model_instance_density.EDIAm
_pdbx_vrpt_model_instance_density.OPIA
 1   1   8  0.653  0.220   2.580  0.650  37.500  
 2   2   8  0.900  0.103   0.096  0.368  37.500  
 3   3   7  0.898  0.114   0.393  0.417  42.860  
 4   4  12  0.934  0.137   0.985  0.459  16.670  
 5   5   9  0.930  0.148   0.550  0.093  33.330  
 6   6   8  0.962  0.102  -0.126  0.358  50.000  
 7   7   8  0.958  0.113   0.144  0.505  50.000  
 8   8   8  0.963  0.106  -0.036  0.371  50.000  
 9   9   8  0.861  0.148   1.246  0.384  25.000  
10  10   4  0.942  0.113   0.467  0.784  25.000  
11  11   9  0.709  0.164   0.893  0.164  44.440  
12  12   7  0.848  0.130   0.791  0.667  57.140  
13  13   8  0.956  0.109   0.032  0.314  12.500  
14  14   9  0.872  0.155   0.700  0.081  22.220  
15  15   4  0.935  0.072  -0.510  0.784  75.000  
16  16   9  0.957  0.074  -0.905  0.531  44.440  
17  17   7  0.968  0.093  -0.129  0.484  57.140  
18  18   7  0.934  0.071  -0.677  0.674  71.430  
19  19   7  0.749  0.195   2.408  0.494  42.860  
20  20   9  0.861  0.143   0.742  0.121  33.330  
21  21   5  0.923  0.115   0.449  0.317  40.000  
22  22   7  0.543  0.256   3.558  0.128  14.290  
23  23   8  0.725  0.265   4.282  0.077  25.000  
24  24   5  0.928  0.143   1.111  0.693  60.000  
25  25   5  0.947  0.135   0.922  0.116  20.000  
26  26   7  0.906  0.116   0.443  0.629  71.430  
27  27   5  0.979  0.099   0.071  0.508  40.000  
28  28   9  0.838  0.161   1.172  0.605  55.560  
29  29   9  0.905  0.131   0.186  0.068  11.110  
30  30   7  0.958  0.112   0.209  0.455  42.860  
31  31  11  0.972  0.105   0.066  0.547  18.180  
32  32   9  0.850  0.181   1.257  0.215  33.330  
33  33   9  0.842  0.135   0.647  0.500  66.670  
34  34  12  0.925  0.126   0.705  0.609  33.330  
35  35   5  0.969  0.093  -0.071  0.588  40.000  
36  36   8  0.871  0.133   0.862  0.402  50.000  
37  37   9  0.913  0.116   0.098  0.404  33.330  
38  38  10  0.937  0.093  -0.167  0.721  50.000  
39  39   4  0.933  0.081  -0.295  0.861  75.000  
40  40   7  0.956  0.134   0.721  0.140  42.860  
41  41   8  0.904  0.121   0.561  0.590  37.500  
42  42   7  0.906  0.143   1.056  0.590  57.140  
43  43   7  0.912  0.107   0.209  0.688  42.860  
44  44   6  0.939  0.091   0.038  0.807  66.670  
45  45   7  0.911  0.108   0.233  0.453  28.570  
46  46   7  0.881  0.128   0.704  0.550  28.570  
47  47   7  0.962  0.080  -0.426  0.678  42.860  
48  48   4  0.864  0.124   0.729  0.749  50.000  
49  49   9  0.854  0.124   0.289  0.154  33.330  
50  50  14  0.950  0.113   0.427  0.667  42.860  
51  51   7  0.878  0.126   0.692  0.714  57.140  
52  52  12  0.944  0.114   0.399  0.590  33.330  
53  53   8  0.897  0.141   1.078  0.844  62.500  
54  54   7  0.957  0.117   0.445  0.660  42.860  
55  55   9  0.806  0.142   0.718  0.342  22.220  
56  56   7  0.886  0.103   0.119  0.542  42.860  
57  57   9  0.952  0.099  -0.499  0.332  14.290  
58  58   7  0.937  0.088  -0.254  0.675  57.140  
59  59  11  0.969  0.110   0.183  0.630  36.360  
60  60   7  0.922  0.109   0.269  0.556  57.140  
61  61   7  0.973  0.093  -0.233  0.369  42.860  
62  62   7  0.854  0.114   0.393  0.682  57.140  
63  63  10  0.816  0.138   0.623  0.574  33.330  
64  64  15  0.714  0.347       ?  0.100   6.670  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity           "4-5-2 with Phenix2.0"                                              Y  
2  mogul                "2022.3.0, CSD as543be (2022)"                                      Y  
3  buster-report        "wwPDB partial adaption of 1.1.7 (2018)"                            Y  
4  eds                  3.0                                                                 Y  
5  dcc                  '"2.31  (2025-03-10))"'                                             Y  
6  xtriage              2.0                                                                 Y  
7  percentiles          "20250101.v01 (using entries in the PDB archive January 1st 2025)"  Y  
8  validation-pipeline  2.49                                                                Y  
##
