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| Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21 |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.389 Å | b: 96.191 Å | c: 67.911 Å | α: 90.00° | β: 102.91° | γ: 90.00° |
| Resolution | 1.82 Å | Reflections | 56644 | Test set | 2883 (5.1%) | ||
| R | 0.1700 | R-free | 0.2170 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.82 Å | Reflections | 56644 | Test set | 2883 (5.1%) | 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 | 0.1963 | 0.1628 |
| R-free | 0.2308 | 0.1935 |
| Bond length RMS Z-score | 0.823 | 0.579 |
| Bond angle RMS Z-score | 0.874 | 0.794 |
| Model quality | ||
| Ramachandran plot normality | -0.181 70 | 0.096 79 |
| Rotamer normality | -2.224 36 | -1.037 63 |
| Coarse packing | -0.381 N/A | -0.385 N/A |
| Fine packing | -1.367 33 | -1.270 38 |
| Bump severity | 0.039 35 | 0.028 47 |
| Hydrogen bond satisfaction | 0.892 43 | 0.891 42 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 10 |
| Side chains flipped | 0 |
| Waters removed | 45 |
| Peptides flipped | 0 |
| Chiralities fixed | 1 |
| Residues fitting density better | 115 |
| Residues fitting density worse | 0 |