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Crystal structure of SARS-CoV 3C-like protease with C4Z |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 52.270 Å | b: 96.396 Å | c: 67.703 Å | α: 90.00° | β: 103.26° | γ: 90.00° |
Resolution | 1.95 Å | Reflections | 47592 | Test set | 2000 (4.2%) | ||
R | 0.2045 | R-free | 0.2320 | ||||
According to PDB-REDO | |||||||
Resolution | 1.95 Å | Reflections | 47592 | Test set | 2000 (4.2%) | ||
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 | 0.2042 | 0.1708 |
R-free | 0.2237 | 0.1965 |
Bond length RMS Z-score | 0.648 | 0.350 |
Bond angle RMS Z-score | 0.744 | 0.567 |
Model quality | ||
Ramachandran plot normality | -2.577 21 | -0.781 59 |
Rotamer normality | -2.628 46 | -0.350 88 |
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 | 16 |
Side chains flipped | 0 |
Waters removed | 35 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 22 |
Residues fitting density worse | 0 |