This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
| Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0 |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.3 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 49.485 Å | b: 97.426 Å | c: 67.535 Å | α: 90.00° | β: 101.70° | γ: 90.00° |
| Resolution | 2.20 Å | Reflections | 29475 | Test set | 1469 (5.0%) | ||
| R | 0.2260 | R-free | 0.2530 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.21 Å | Reflections | 29475 | Test set | 1469 (5.0%) | ||
| Twin | false | Radiation damage | N/A | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2211 | 0.2090 |
| R-free | 0.2499 | 0.2402 |
| Bond length RMS Z-score | 1.903 | 0.343 |
| Bond angle RMS Z-score | 1.471 | 0.652 |
| Model quality | ||
| Ramachandran plot normality | -3.177 15 | -1.049 54 |
| Rotamer normality | -3.943 19 | -2.034 50 |
| Coarse packing | N/A N/A | N/A N/A |
| Fine packing | N/A N/A | N/A N/A |
| Bump severity | 0.000 95 | 0.000 95 |
| Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 11 |
| Side chains flipped | 0 |
| Waters removed | 6 |
| Peptides flipped | 5 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |