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Crystal structure of SARS-CoV main protease with authentic N and C-termini |
This entry was created with PDB-REDO version 7.00. |
From original header | |||||||
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Spacegroup | C 1 2 1 | a: 108.406 Å | b: 81.750 Å | c: 53.553 Å | α: 90.00° | β: 104.70° | γ: 90.00° |
Resolution | 1.60 Å | Reflections | 54588 | Test set | 5530 (10.1%) | ||
R | 0.2010 | R-free | 0.2140 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 54588 | Test set | 5530 (10.1%) | 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 | 0.2650 | 0.1588 |
R-free |
0.2190
|
0.1838 |
Bond length RMS Z-score | 0.390 | 0.741 |
Bond angle RMS Z-score | 0.752 | 0.884 |
Model quality | ||
Ramachandran plot normality | -0.440 62 | 0.194 81 |
Rotamer normality | -1.388 54 | -0.486 77 |
Coarse packing | -0.619 N/A | -0.571 N/A |
Fine packing | -1.521 26 | -1.316 35 |
Bump severity | 0.007 86 | 0.000 99 |
Hydrogen bond satisfaction | 0.883 35 | 0.906 57 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 13 |
Side chains flipped | 0 |
Waters removed | 37 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 132 |
Residues fitting density worse | 1 |