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| Crystal structure of unbound SARS coronavirus main peptidase in the space group C2 |
| This entry was created with PDB-REDO version 8.01 using the deposited PDB model version 1.4 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 1 2 1 | a: 107.758 Å | b: 82.140 Å | c: 53.128 Å | α: 90.00° | β: 104.87° | γ: 90.00° |
| Resolution | 2.08 Å | Reflections | 26186 | Test set | 1308 (5.0%) | ||
| R | 0.1917 | R-free | 0.2464 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.06 Å | Reflections | 26186 | Test set | 1308 (5.0%) | ||
| Twin | false | Radiation damage | N/A | ||||
| 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 | 0.2739 | 0.1932 |
| R-free | 0.3116 | 0.2373 |
| Bond length RMS Z-score | 1.269 | 0.672 |
| Bond angle RMS Z-score | 1.355 | 0.957 |
| Model quality | ||
| Ramachandran plot normality | -3.867 10 | -2.401 23 |
| Rotamer normality | -4.640 18 | -2.982 40 |
| Coarse packing | -0.476 37 | -0.243 49 |
| Fine packing | -1.835 19 | -1.286 41 |
| Bump severity | 0.069 14 | 0.017 44 |
| Hydrogen bond satisfaction | 0.715 2 | 0.654 1 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 7 |
| Side chains flipped | 0 |
| Waters removed | 37 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 125 |
| Residues fitting density worse | 0 |