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Crystal structure of native SARS CLpro |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 107.190 Å | b: 45.060 Å | c: 53.990 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.80 Å | Reflections | 9205 | Test set | 692 (7.5%) | ||
R | 0.2410 | R-free | 0.2880 | ||||
According to PDB-REDO | |||||||
Resolution | 2.51 Å | Reflections | 9205 | Test set | 692 (7.5%) | ||
Twin | false | Radiation damage | 5 | ||||
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 | 0.3164 | 0.2291 |
R-free | 0.3849 R-free was considered biased, the estimated unbiased R-free was used | 0.3120 |
Bond length RMS Z-score | 1.833 | 0.422 |
Bond angle RMS Z-score | 1.229 | 0.634 |
Model quality | ||
Ramachandran plot normality | -6.197 2 | -5.047 4 |
Rotamer normality | -5.615 6 | -4.876 11 |
Coarse packing | -1.214 8 | -0.980 12 |
Fine packing | -2.793 3 | -2.215 10 |
Bump severity | 0.131 8 | 0.022 35 |
Hydrogen bond satisfaction | 0.768 3 | 0.819 7 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 10 |
Side chains flipped | 0 |
Waters removed | 11 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |