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| Complex structure of SARS-CoV 3C-like protease with EPDTC |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.150 Å | b: 96.300 Å | c: 67.620 Å | α: 90.00° | β: 103.63° | γ: 90.00° |
| Resolution | 1.95 Å | Reflections | 44320 | Test set | 2225 (5.0%) | ||
| R | 0.1940 | R-free | 0.2480 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.95 Å | Reflections | 44320 | Test set | 2225 (5.0%) | 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 | 0.1925 | 0.1701 |
| R-free | 0.2462 | 0.2223 |
| Bond length RMS Z-score | 0.382 | 0.511 |
| Bond angle RMS Z-score | 0.716 | 0.734 |
| Model quality | ||
| Ramachandran plot normality | -1.368 35 | -0.226 69 |
| Rotamer normality | -2.993 22 | -1.212 59 |
| Coarse packing | -0.618 N/A | -0.376 N/A |
| Fine packing | -1.996 11 | -1.436 30 |
| Bump severity | 0.025 51 | 0.026 50 |
| Hydrogen bond satisfaction | 0.886 38 | 0.897 47 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 16 |
| Side chains flipped | 0 |
| Waters removed | 91 |
| Peptides flipped | 1 |
| Chiralities fixed | 1 |
| Residues fitting density better | 43 |
| Residues fitting density worse | 3 |