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| Crystal structure of SARS spike protein receptor binding domain |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 43 21 2 | a: 75.884 Å | b: 75.884 Å | c: 235.863 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.20 Å | Reflections | 36036 | Test set | 1798 (5.0%) | ||
| R | 0.1820 | R-free | 0.2130 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.20 Å | Reflections | 36036 | Test set | 1798 (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 | 0.2223 | 0.1781 |
| R-free | 0.2500 | 0.2051 |
| Bond length RMS Z-score | 0.572 | 0.611 |
| Bond angle RMS Z-score | 0.712 | 0.789 |
| Model quality | ||
| Ramachandran plot normality | -2.025 22 | -2.010 22 |
| Rotamer normality | -2.331 34 | -1.162 60 |
| Coarse packing | -1.393 N/A | -1.516 N/A |
| Fine packing | -1.745 18 | -1.892 14 |
| Bump severity | 0.003 95 | 0.001 98 |
| Hydrogen bond satisfaction | 0.906 57 | 0.908 60 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 7 |
| Side chains flipped | 0 |
| Waters removed | 14 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 113 |
| Residues fitting density worse | 8 |