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| Crystal structure of human CBR1 in complex with Hydroxy-PP |
| This entry was created with PDB-REDO version 8.08 using the deposited PDB model version 1.3 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 54.450Å b: 55.350Å c: 95.930Å | α: 90.00° β: 90.00° γ: 90.00° | ||
| Resolution | 1.24 Å | Reflections | 82224 | Test set | 0 (0.0%) |
| R | 0.9990 | R-free | 0.1672 | ||
| According to PDB-REDO | |||||
| Resolution | 1.24 Å | Reflections | 82224 | Test set |
4049 (4.9%)
New test set, PDB-REDO compensated for this
|
| Twin | false | Radiation damage | 72 | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure |
Re-refined (only) structure
|
All files
(compressed) |
|||
| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1438 | 0.1163 |
| R-free |
0.1731
R-free was considered biased, the
estimated unbiased R-free was used
|
0.1265 |
| Bond length RMS Z-score | 1.174 | 0.604 |
| Bond angle RMS Z-score | 1.278 | 0.785 |
| Model quality | ||
| Ramachandran plot normality | -0.615 66 | -0.538 68 |
| Rotamer normality | -0.208 87 | 0.706 96 |
| Coarse packing | 1.017 85 | 1.057 86 |
| Fine packing | 0.790 94 | 0.939 95 |
| Bump severity | 0.004 76 | 0.007 65 |
| Hydrogen bond satisfaction | 0.900 50 | 0.912 66 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 3 |
| Side chains built | 0 |
| Waters removed | 19 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 35 |
| Residues fitting density worse | 0 |