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Crystal structure of spike protein receptor-binding domain from the 2002-2003 SARS coronavirus human strain complexed with human-civet chimeric receptor ACE2 |
This entry was created with PDB-REDO version 7.31. |
From original header | |||||||
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Spacegroup | P 21 | a: 80.008 Å | b: 119.762 Å | c: 108.801 Å | α: 90.00° | β: 96.22° | γ: 90.00° |
Resolution | 2.80 Å | Reflections | 48071 | Test set | 0 (0.0%) | ||
R | 0.2140 | R-free | 0.2790 | ||||
According to PDB-REDO | |||||||
Resolution | 2.79 Å | Reflections | 48071 | Test set |
2391 (5.0%)
|
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 | 0.2355 | 0.2188 |
R-free |
0.2851
|
0.2529 |
Bond length RMS Z-score | 0.465 | 0.374 |
Bond angle RMS Z-score | 0.634 | 0.630 |
Model quality | ||
Ramachandran plot normality | -5.348 4 | -3.484 12 |
Rotamer normality | -4.969 15 | -3.199 37 |
Coarse packing | -1.373 8 | -1.024 15 |
Fine packing | -1.918 16 | -1.310 40 |
Bump severity | 0.018 42 | 0.017 44 |
Hydrogen bond satisfaction | 0.835 10 | 0.822 7 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 49 |
Side chains flipped | 0 |
Waters removed | 4 |
Peptides flipped | 20 |
Chiralities fixed | 0 |
Residues fitting density better | 21 |
Residues fitting density worse | 8 |