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Crystal structure of SARS-CoV 3C-like protease with M4Z |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 52.317 Å | b: 96.492 Å | c: 67.644 Å | α: 90.00° | β: 103.31° | γ: 90.00° |
Resolution | 1.95 Å | Reflections | 46899 | Test set | 2000 (4.3%) | ||
R | 0.1875 | R-free | 0.2304 | ||||
According to PDB-REDO | |||||||
Resolution | 1.95 Å | Reflections | 46899 | Test set | 2000 (4.3%) | ||
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 | |
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Crystallographic refinement | ||
R | 0.1865 | 0.1722 |
R-free | 0.2285 | 0.2026 |
Bond length RMS Z-score | 0.623 | 0.357 |
Bond angle RMS Z-score | 0.708 | 0.569 |
Model quality | ||
Ramachandran plot normality | -1.613 37 | -0.826 58 |
Rotamer normality | -0.959 78 | 0.057 93 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 96 | 0.000 96 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 17 |
Side chains flipped | 0 |
Waters removed | 22 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |