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| Crystal structure of native SARS CLpro |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 2 | a: 107.190 Å | b: 45.060 Å | c: 53.990 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.80 Å | Reflections | 9204 | Test set | 692 (7.5%) | ||
| R | 0.2410 | R-free | 0.2880 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.51 Å | Reflections | 9204 | Test set | 692 (7.5%) | Twin | false |
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.3161 | 0.2680 |
| R-free |
0.3741
R-free was considered biased, the
estimated unbiased R-free was used
|
0.3280 |
| Bond length RMS Z-score | 0.517 | 0.574 |
| Bond angle RMS Z-score | 0.977 | 0.831 |
| Model quality | ||
| Ramachandran plot normality | -6.523 1 | -4.479 4 |
| Rotamer normality | -6.549 1 | -6.407 1 |
| Coarse packing | -1.958 N/A | -1.555 N/A |
| Fine packing | -2.693 3 | -1.876 14 |
| Bump severity | 0.131 8 | 0.011 77 |
| Hydrogen bond satisfaction | 0.764 4 | 0.821 10 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 10 |
| Side chains flipped | 0 |
| Waters removed | 47 |
| Peptides flipped | 5 |
| Chiralities fixed | 0 |
| Residues fitting density better | 3 |
| Residues fitting density worse | 6 |