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| Crystal structure of the SARS-CoV Spike protein fusion core |
| This entry was created with PDB-REDO version 7.36. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 1 2 1 | a: 121.215 Å | b: 66.316 Å | c: 69.976 Å | α: 90.00° | β: 107.35° | γ: 90.00° |
| Resolution | 2.80 Å | Reflections | 10724 | Test set | 554 (5.2%) | ||
| R | 0.2330 | R-free | 0.2730 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.80 Å | Reflections | 10724 | Test set | 554 (5.2%) | 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 | 0.2412 | 0.2960 |
| R-free | 0.2837 | 0.3346 |
| Bond length RMS Z-score | 0.587 | 0.553 |
| Bond angle RMS Z-score | 0.810 | 0.782 |
| Model quality | ||
| Ramachandran plot normality | -9.438 0 | -6.368 2 |
| Rotamer normality | -6.382 6 | -5.212 13 |
| Coarse packing | -2.500 1 | 0.338 77 |
| Fine packing | -4.310 0 | -0.312 76 |
| Bump severity | 0.382 2 | 0.082 12 |
| Hydrogen bond satisfaction | 0.781 4 | 0.895 44 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 18 |
| Side chains flipped | 8 |
| Waters removed | 278 |
| Peptides flipped | 3 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 1 |