data_4U35

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4U35
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4U35
_pdbx_vrpt_summary.PDB_deposition_date         2014-07-18
_pdbx_vrpt_summary.PDB_revision_number         9
_pdbx_vrpt_summary.PDB_revision_date           2023-09-27
_pdbx_vrpt_summary.RNA_suiteness               0.85
_pdbx_vrpt_summary.report_creation_date        2023-09-17:12:19
_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  "RNA (5'-R(*UP*AP*GP*CP*(SUR)P*CP*C-3')"  
2  polymer  "RNA (5'-R(*GP*GP*UP*GP*CP*UP*A)-3')"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.55  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
3  R_value_R_free         
4  RNAsuiteness_percent   
#
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   84.47  141614     ?     ?  
2  2  1   74.95    1529  1.56  1.56  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    1465  1.56  1.56  
5  1  3   77.02  130704     ?     ?  
6  2  3   49.20    1483  1.56  1.56  
7  1  4   97.49    3102     ?     ?  
8  2  4   93.00    1015  0.86  2.36  
#
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  A  100.00  
2  4  2  A  1  1  A  100.00  
3  3  2  B  1  2  B  100.00  
4  4  2  B  1  2  B  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.80  0.53  134  204  
2  1  2  B  B  0.67  0.40  165  256  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       2.25
_pdbx_vrpt_summary_geometry.num_H_reduce     154
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   299
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.47
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  460
_pdbx_vrpt_summary_geometry.angles_RMSZ      0.73
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 90.236
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            53.369
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         16.858
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.84(1.55A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5331
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.238
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.317
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.480
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.317
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.964
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.18
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.55
_pdbx_vrpt_summary_diffraction.EDS_res_low               23.65
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[16.929,16.310,17.495,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.070
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 20.09 % 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 9.3758e-03. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         95.16
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      241
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.52
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.55
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        28.22
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.21
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
 1  1  1  A  1  U    A    1  .  ?        ?     ?     ?  
 2  1  1  A  2  A    A    2  .  ?        ?     ?     ?  
 3  1  1  A  3  G    A    3  .  ?        ?     ?     ?  
 4  1  1  A  4  C    A    4  .  ?        ?     ?     ?  
 5  1  1  A  5  SUR  A    5  .  ?        ?     1     4  
 6  1  1  A  6  C    A    6  .  ?        ?     ?     ?  
 7  1  1  A  7  C    A    7  .  ?        ?     ?     ?  
 8  1  2  B  1  G    B    8  .  ?        1     ?     ?  
 9  1  2  B  2  G    B    9  .  ?        1     ?     ?  
10  1  2  B  3  U    B   10  .  ?        ?     ?     ?  
11  1  2  B  4  G    B   11  .  ?        ?     ?     ?  
12  1  2  B  5  C    B   12  .  ?        ?     ?     ?  
13  1  2  B  6  U    B   13  .  ?        ?     ?     ?  
14  1  2  B  7  A    B   14  .  ?        ?     ?     ?  
15  1  3  C  .  HOH  A  101  .  ?        ?     ?     ?  
16  1  3  C  .  HOH  A  102  .  ?        ?     ?     ?  
17  1  3  C  .  HOH  A  103  .  ?        ?     ?     ?  
18  1  3  C  .  HOH  A  104  .  ?        ?     ?     ?  
19  1  3  C  .  HOH  A  105  .  ?        ?     ?     ?  
20  1  3  C  .  HOH  A  106  .  ?        ?     ?     ?  
21  1  3  C  .  HOH  A  107  .  ?        ?     ?     ?  
22  1  3  C  .  HOH  A  108  .  ?        ?     ?     ?  
23  1  3  C  .  HOH  A  109  .  ?        ?     ?     ?  
24  1  3  C  .  HOH  A  110  .  ?        ?     ?     ?  
25  1  3  C  .  HOH  A  111  .  ?        ?     ?     ?  
26  1  3  C  .  HOH  A  112  .  ?        ?     ?     ?  
27  1  3  C  .  HOH  A  113  .  ?        ?     ?     ?  
28  1  3  C  .  HOH  A  114  .  ?        ?     ?     ?  
29  1  3  C  .  HOH  A  115  .  ?        ?     ?     ?  
30  1  3  C  .  HOH  A  116  .  ?        ?     ?     ?  
31  1  3  C  .  HOH  A  117  .  ?        ?     ?     ?  
32  1  3  C  .  HOH  A  118  .  ?        ?     ?     ?  
33  1  3  C  .  HOH  A  119  .  ?        ?     ?     ?  
34  1  3  C  .  HOH  A  120  .  ?        ?     ?     ?  
35  1  3  C  .  HOH  A  121  .  ?        ?     ?     ?  
36  1  3  C  .  HOH  A  122  .  ?        ?     ?     ?  
37  1  3  C  .  HOH  A  123  .  ?        ?     ?     ?  
38  1  3  C  .  HOH  A  124  .  ?        ?     ?     ?  
39  1  3  C  .  HOH  A  125  .  ?        ?     ?     ?  
40  1  3  C  .  HOH  A  126  .  ?        ?     ?     ?  
41  1  3  C  .  HOH  A  127  .  ?        ?     ?     ?  
42  1  3  C  .  HOH  A  128  .  ?        ?     ?     ?  
43  1  3  C  .  HOH  A  129  .  ?        ?     ?     ?  
44  1  3  C  .  HOH  A  130  .  ?        ?     ?     ?  
45  1  3  C  .  HOH  A  131  .  ?        ?     ?     ?  
46  1  3  C  .  HOH  A  132  .  ?        ?     ?     ?  
47  1  3  C  .  HOH  A  133  .  ?        ?     ?     ?  
48  1  3  C  .  HOH  A  134  .  ?        ?     ?     ?  
49  1  3  C  .  HOH  A  135  .  ?        ?     ?     ?  
50  1  3  C  .  HOH  A  136  .  ?        ?     ?     ?  
51  1  3  C  .  HOH  A  137  .  ?        ?     ?     ?  
52  1  3  C  .  HOH  A  138  .  ?        ?     ?     ?  
53  1  3  C  .  HOH  A  139  .  ?        ?     ?     ?  
54  1  3  C  .  HOH  A  140  .  ?        ?     ?     ?  
55  1  3  D  .  HOH  B  101  .  ?        ?     ?     ?  
56  1  3  D  .  HOH  B  102  .  ?        ?     ?     ?  
57  1  3  D  .  HOH  B  103  .  ?        ?     ?     ?  
58  1  3  D  .  HOH  B  104  .  ?        ?     ?     ?  
59  1  3  D  .  HOH  B  105  .  ?        ?     ?     ?  
60  1  3  D  .  HOH  B  106  .  ?        ?     ?     ?  
61  1  3  D  .  HOH  B  107  .  ?        ?     ?     ?  
62  1  3  D  .  HOH  B  108  .  ?        ?     ?     ?  
63  1  3  D  .  HOH  B  109  .  ?        ?     ?     ?  
64  1  3  D  .  HOH  B  110  .  ?        ?     ?     ?  
65  1  3  D  .  HOH  B  111  .  ?        ?     ?     ?  
66  1  3  D  .  HOH  B  112  .  ?        ?     ?     ?  
67  1  3  D  .  HOH  B  113  .  ?        ?     ?     ?  
68  1  3  D  .  HOH  B  114  .  ?        ?     ?     ?  
69  1  3  D  .  HOH  B  115  .  ?        ?     ?     ?  
70  1  3  D  .  HOH  B  116  .  ?        ?     ?     ?  
71  1  3  D  .  HOH  B  117  .  ?        ?     ?     ?  
72  1  3  D  .  HOH  B  118  .  ?        ?     ?     ?  
73  1  3  D  .  HOH  B  119  .  ?        ?     ?     ?  
74  1  3  D  .  HOH  B  120  .  ?        ?     ?     ?  
75  1  3  D  .  HOH  B  121  .  ?        ?     ?     ?  
76  1  3  D  .  HOH  B  122  .  ?        ?     ?     ?  
77  1  3  D  .  HOH  B  123  .  ?        ?     ?     ?  
78  1  3  D  .  HOH  B  124  .  ?        ?     ?     ?  
79  1  3  D  .  HOH  B  125  .  ?        ?     ?     ?  
80  1  3  D  .  HOH  B  126  .  ?        ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.RNA_score
_pdbx_vrpt_model_instance_geometry.RNA_suite
_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  0.00  NotAvailable    11  24.860    19  0.43    30  1.16  molprobity  1.000  
 2   2  0.89  Rotameric       11  22.410    25  0.50    39  0.81  molprobity  1.000  
 3   3  0.89  Rotameric       11  18.330    26  0.27    41  0.54  molprobity  1.000  
 4   4  0.91  Rotameric       11  15.910    21  0.40    30  0.75  molprobity  1.000  
 5   5     ?  ?               10  16.080    17  1.25    22  1.71  mogul       1.000  
 6   6  0.44  Rotameric       11  15.840    22  0.97    34  0.70  molprobity  1.000  
 7   7  0.77  Rotameric       12  16.800    21  0.31    30  0.78  molprobity  1.000  
 8   8  0.00  NotAvailable    12  17.340    23  0.39    37  0.57  molprobity  1.000  
 9   9  0.84  Rotameric       11  16.330    26  0.58    41  0.65  molprobity  1.000  
10  10  0.82  Rotameric       10  17.260    22  0.35    34  0.75  molprobity  1.000  
11  11  0.91  Rotameric       11  17.930    26  0.44    41  0.60  molprobity  1.000  
12  12  0.96  Rotameric       11  20.630    22  0.37    34  0.65  molprobity  1.000  
13  13  0.97  Rotameric       10  22.120    22  0.33    34  0.86  molprobity  1.000  
14  14  0.95  Rotameric       12  21.240    24  0.26    35  0.56  molprobity  1.000  
15  15     ?  ?                ?  38.560     ?     ?     ?     ?  ?           1.000  
16  16     ?  ?                ?  25.910     ?     ?     ?     ?  ?           1.000  
17  17     ?  ?                ?  22.410     ?     ?     ?     ?  ?           1.000  
18  18     ?  ?                ?  26.010     ?     ?     ?     ?  ?           1.000  
19  19     ?  ?                ?  34.430     ?     ?     ?     ?  ?           1.000  
20  20     ?  ?                ?  18.380     ?     ?     ?     ?  ?           1.000  
21  21     ?  ?                ?  31.200     ?     ?     ?     ?  ?           1.000  
22  22     ?  ?                ?  35.890     ?     ?     ?     ?  ?           1.000  
23  23     ?  ?                ?  42.250     ?     ?     ?     ?  ?           1.000  
24  24     ?  ?                ?  20.700     ?     ?     ?     ?  ?           1.000  
25  25     ?  ?                ?  16.270     ?     ?     ?     ?  ?           1.000  
26  26     ?  ?                ?  22.620     ?     ?     ?     ?  ?           1.000  
27  27     ?  ?                ?  24.260     ?     ?     ?     ?  ?           1.000  
28  28     ?  ?                ?  26.040     ?     ?     ?     ?  ?           1.000  
29  29     ?  ?                ?  27.750     ?     ?     ?     ?  ?           1.000  
30  30     ?  ?                ?  35.870     ?     ?     ?     ?  ?           1.000  
31  31     ?  ?                ?  21.530     ?     ?     ?     ?  ?           1.000  
32  32     ?  ?                ?  26.420     ?     ?     ?     ?  ?           1.000  
33  33     ?  ?                ?  40.510     ?     ?     ?     ?  ?           1.000  
34  34     ?  ?                ?  30.080     ?     ?     ?     ?  ?           1.000  
35  35     ?  ?                ?  37.640     ?     ?     ?     ?  ?           1.000  
36  36     ?  ?                ?  41.730     ?     ?     ?     ?  ?           1.000  
37  37     ?  ?                ?  22.950     ?     ?     ?     ?  ?           1.000  
38  38     ?  ?                ?  43.680     ?     ?     ?     ?  ?           1.000  
39  39     ?  ?                ?  22.990     ?     ?     ?     ?  ?           1.000  
40  40     ?  ?                ?  32.930     ?     ?     ?     ?  ?           1.000  
41  41     ?  ?                ?  39.180     ?     ?     ?     ?  ?           1.000  
42  42     ?  ?                ?  36.430     ?     ?     ?     ?  ?           1.000  
43  43     ?  ?                ?  53.590     ?     ?     ?     ?  ?           1.000  
44  44     ?  ?                ?  12.110     ?     ?     ?     ?  ?           1.000  
45  45     ?  ?                ?  21.740     ?     ?     ?     ?  ?           1.000  
46  46     ?  ?                ?  23.360     ?     ?     ?     ?  ?           1.000  
47  47     ?  ?                ?  21.640     ?     ?     ?     ?  ?           1.000  
48  48     ?  ?                ?  21.690     ?     ?     ?     ?  ?           1.000  
49  49     ?  ?                ?  25.950     ?     ?     ?     ?  ?           1.000  
50  50     ?  ?                ?  24.690     ?     ?     ?     ?  ?           1.000  
51  51     ?  ?                ?  23.780     ?     ?     ?     ?  ?           1.000  
52  52     ?  ?                ?  31.610     ?     ?     ?     ?  ?           1.000  
53  53     ?  ?                ?  35.160     ?     ?     ?     ?  ?           1.000  
54  54     ?  ?                ?  36.210     ?     ?     ?     ?  ?           1.000  
55  55     ?  ?                ?  47.870     ?     ?     ?     ?  ?           1.000  
56  56     ?  ?                ?  46.500     ?     ?     ?     ?  ?           1.000  
57  57     ?  ?                ?  54.270     ?     ?     ?     ?  ?           1.000  
58  58     ?  ?                ?  26.260     ?     ?     ?     ?  ?           1.000  
59  59     ?  ?                ?  19.470     ?     ?     ?     ?  ?           1.000  
60  60     ?  ?                ?  40.410     ?     ?     ?     ?  ?           1.000  
61  61     ?  ?                ?  20.200     ?     ?     ?     ?  ?           1.000  
62  62     ?  ?                ?  35.570     ?     ?     ?     ?  ?           1.000  
63  63     ?  ?                ?  36.990     ?     ?     ?     ?  ?           1.000  
64  64     ?  ?                ?  34.050     ?     ?     ?     ?  ?           1.000  
65  65     ?  ?                ?  18.870     ?     ?     ?     ?  ?           1.000  
66  66     ?  ?                ?  24.190     ?     ?     ?     ?  ?           1.000  
67  67     ?  ?                ?  37.400     ?     ?     ?     ?  ?           1.000  
68  68     ?  ?                ?  54.130     ?     ?     ?     ?  ?           1.000  
69  69     ?  ?                ?  85.220     ?     ?     ?     ?  ?           1.000  
70  70     ?  ?                ?  21.700     ?     ?     ?     ?  ?           1.000  
71  71     ?  ?                ?  23.480     ?     ?     ?     ?  ?           1.000  
72  72     ?  ?                ?  34.530     ?     ?     ?     ?  ?           1.000  
73  73     ?  ?                ?  28.380     ?     ?     ?     ?  ?           1.000  
74  74     ?  ?                ?  18.810     ?     ?     ?     ?  ?           1.000  
75  75     ?  ?                ?  29.220     ?     ?     ?     ?  ?           1.000  
76  76     ?  ?                ?  43.450     ?     ?     ?     ?  ?           1.000  
77  77     ?  ?                ?  50.240     ?     ?     ?     ?  ?           1.000  
78  78     ?  ?                ?  42.160     ?     ?     ?     ?  ?           1.000  
79  79     ?  ?                ?  45.160     ?     ?     ?     ?  ?           1.000  
80  80     ?  ?                ?  49.350     ?     ?     ?     ?  ?           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  8  "H2'"  1  0.40  2.22  
2  9  "O4'"  1  0.40  2.22  
#
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id  5
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1       C2
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2       S2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval       1.62
_pdbx_vrpt_instance_mogul_bond_outliers.mean         1.67
_pdbx_vrpt_instance_mogul_bond_outliers.numobs       1446
_pdbx_vrpt_instance_mogul_bond_outliers.stdev        0.02
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore       -3.59
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff      0.00
#
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  5  C6  C5  C4  116.72  119.52  367  1.37  -2.04  0.13  
2  5  C2  N3  C4  122.07  127.33   24  1.23  -4.28  2.98  
3  5  C5  C4  N3  121.32  114.84  564  1.50   4.33  0.15  
4  5  O4  C4  C5  119.74  125.16  952  1.76  -3.08  0.08  
#
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  17  0.926  0.081  -0.347  
 2   2  22  0.955  0.072  -0.484  
 3   3  23  0.975  0.061  -0.949  
 4   4  20  0.976  0.062  -0.677  
 5   5  20  0.982  0.074       ?  
 6   6  20  0.979  0.075  -0.364  
 7   7  20  0.979  0.072  -0.436  
 8   8  20  0.962  0.062  -0.917  
 9   9  23  0.982  0.057  -1.077  
10  10  20  0.983  0.049  -0.937  
11  11  23  0.960  0.066  -0.789  
12  12  20  0.973  0.061  -0.701  
13  13  20  0.966  0.078  -0.402  
14  14  22  0.959  0.078  -0.314  
15  15   1  0.782  0.290       ?  
16  16   1  0.938  0.123       ?  
17  17   1  0.857  0.120       ?  
18  18   1  0.963  0.109       ?  
19  19   1  0.943  0.162       ?  
20  20   1  0.981  0.057       ?  
21  21   1  0.963  0.308       ?  
22  22   1  0.905  0.151       ?  
23  23   1  0.844  0.139       ?  
24  24   1  0.980  0.043       ?  
25  25   1  0.986  0.085       ?  
26  26   1  0.977  0.089       ?  
27  27   1  0.980  0.132       ?  
28  28   1  0.958  0.131       ?  
29  29   1  0.951  0.088       ?  
30  30   1  0.941  0.226       ?  
31  31   1  0.978  0.074       ?  
32  32   1  0.984  0.076       ?  
33  33   1  0.795  0.186       ?  
34  34   1  0.940  0.072       ?  
35  35   1  0.838  0.094       ?  
36  36   1  0.893  0.303       ?  
37  37   1  0.965  0.070       ?  
38  38   1  0.618  0.454       ?  
39  39   1  0.964  0.102       ?  
40  40   1  0.961  0.133       ?  
41  41   1  0.662  0.291       ?  
42  42   1  0.800  0.151       ?  
43  43   1  0.460  0.162       ?  
44  44   1  0.977  0.144       ?  
45  45   1  0.984  0.060       ?  
46  46   1  0.990  0.078       ?  
47  47   1  0.991  0.045       ?  
48  48   1  0.976  0.064       ?  
49  49   1  0.906  0.087       ?  
50  50   1  0.977  0.117       ?  
51  51   1  0.957  0.083       ?  
52  52   1  0.938  0.107       ?  
53  53   1  0.893  0.167       ?  
54  54   1  0.817  0.190       ?  
55  55   1  0.818  0.486       ?  
56  56   1  0.775  0.238       ?  
57  57   1  0.843  0.501       ?  
58  58   1  0.949  0.115       ?  
59  59   1  0.992  0.053       ?  
60  60   1  0.784  0.166       ?  
61  61   1  0.972  0.064       ?  
62  62   1  0.919  0.173       ?  
63  63   1  0.837  0.100       ?  
64  64   1  0.787  0.164       ?  
65  65   1  0.971  0.138       ?  
66  66   1  0.980  0.079       ?  
67  67   1  0.783  0.134       ?  
68  68   1  0.879  0.122       ?  
69  69   1  0.351  1.069       ?  
70  70   1  0.975  0.059       ?  
71  71   1  0.976  0.154       ?  
72  72   1  0.945  0.092       ?  
73  73   1  0.912  0.104       ?  
74  74   1  0.977  0.054       ?  
75  75   1  0.905  0.114       ?  
76  76   1  0.813  0.222       ?  
77  77   1  0.851  0.284       ?  
78  78   1  0.767  0.285       ?  
79  79   1  0.806  0.153       ?  
80  80   1  0.911  0.190       ?  
#
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          2.35.1                                                                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  
##
