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| Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212 |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 43 21 2 | a: 70.294 Å | b: 70.294 Å | c: 102.866 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.00 Å | Reflections | 17964 | Test set | 913 (5.1%) | ||
| R | 0.1750 | R-free | 0.2410 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.00 Å | Reflections | 17964 | Test set | 913 (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 | 0.1791 | 0.1751 |
| R-free | 0.2389 | 0.2183 |
| Bond length RMS Z-score | 0.829 | 0.505 |
| Bond angle RMS Z-score | 0.872 | 0.731 |
| Model quality | ||
| Ramachandran plot normality | -0.854 49 | -0.122 72 |
| Rotamer normality | -2.687 27 | -1.437 53 |
| Coarse packing | -0.421 N/A | -0.372 N/A |
| Fine packing | -0.902 56 | -0.793 61 |
| Bump severity | 0.050 28 | 0.033 41 |
| Hydrogen bond satisfaction | 0.896 46 | 0.889 40 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains flipped | 0 |
| Waters removed | 8 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 3 |