| X-ray crystal structure of the SARS coronavirus spike receptor binding domain in complex with F26G19 Fab |
| This entry was created with PDB-REDO version 8.12 using the deposited PDB model version 1.4 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 2 | a: 183.688 Å | b: 73.365 Å | c: 110.782 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 3.00 Å | Reflections | 30355 | Test set | 1495 (4.9%) | ||
| R | 0.2340 | R-free | 0.2860 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.00 Å | Reflections | 30355 | Test set | 1495 (4.9%) | ||
| 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 | 0.2536 | 0.2271 |
| R-free | 0.3077 | 0.2735 |
| Bond length RMS Z-score | 0.584 | 0.280 |
| Bond angle RMS Z-score | 0.654 | 0.501 |
| Model quality | ||
| Ramachandran plot normality | -2.941 18 | -2.276 26 |
| Rotamer normality | -2.844 35 | -2.175 47 |
| Coarse packing | -0.548 25 | -0.263 37 |
| Fine packing | -0.623 67 | -0.150 80 |
| Bump severity | 0.038 22 | 0.007 65 |
| Hydrogen bond satisfaction | 0.860 17 | 0.864 19 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 15 |
| Side chains flipped | 0 |
| Waters removed | 0 |
| Peptides flipped | 9 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |