| Crystal structure of SARS-CoV 3C-like protease with C6Z |
| This entry was created with PDB-REDO version 8.04. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.096 Å | b: 96.435 Å | c: 67.694 Å | α: 90.00° | β: 103.48° | γ: 90.00° |
| Resolution | 2.50 Å | Reflections | 22564 | Test set | 2000 (8.9%) | ||
| R | 0.1881 | R-free | 0.2453 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.50 Å | Reflections | 22564 | Test set | 2000 (8.9%) | 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 | 0.1919 | 0.1849 |
| R-free | 0.2473 | 0.2284 |
| Bond length RMS Z-score | 0.655 | 0.427 |
| Bond angle RMS Z-score | 0.712 | 0.614 |
| Model quality | ||
| Ramachandran plot normality | -3.405 13 | -1.483 40 |
| Rotamer normality | -2.915 41 | -1.010 77 |
| Coarse packing | 0.167 70 | 0.248 74 |
| Fine packing | -1.390 36 | -1.135 47 |
| Bump severity | 0.015 47 | 0.023 36 |
| Hydrogen bond satisfaction | 0.892 40 | 0.885 33 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 14 |
| Side chains flipped | 0 |
| Waters removed | 6 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |