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| CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P21212) |
| This entry was created with PDB-REDO version 7.38. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 2 | a: 108.230 Å | b: 44.557 Å | c: 54.198 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.79 Å | Reflections | 6856 | Test set | 961 (14.0%) | ||
| R | 0.2080 | R-free | 0.3020 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.79 Å | Reflections | 6856 | Test set | 961 (14.0%) | Twin | false |
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2211 | 0.2027 |
| R-free | 0.3139 | 0.2848 |
| Bond length RMS Z-score | 0.719 | 0.379 |
| Bond angle RMS Z-score | 0.703 | 0.635 |
| Model quality | ||
| Ramachandran plot normality | -3.237 14 | -2.520 22 |
| Rotamer normality | -3.817 28 | -3.857 27 |
| Coarse packing | -1.164 12 | -1.003 16 |
| Fine packing | -1.609 27 | -1.303 40 |
| Bump severity | 0.005 74 | 0.012 53 |
| Hydrogen bond satisfaction | 0.829 9 | 0.846 12 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 11 |
| Side chains flipped | 0 |
| Waters removed | 12 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |