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| Complex structure of bat CD26 and MERS-RBD |
| This entry was created with PDB-REDO version 7.32. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 114.657 Å | b: 273.674 Å | c: 115.234 Å | α: 90.00° | β: 119.68° | γ: 90.00° |
| Resolution | 3.10 Å | Reflections | 95318 | Test set | 4577 (4.8%) | ||
| R | 0.2000 | R-free | 0.2410 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.10 Å | Reflections | 95318 | Test set | 4577 (4.8%) | 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 | 0.2156 | 0.2245 |
| R-free | 0.2505 | 0.2464 |
| Bond length RMS Z-score | 0.248 | 0.457 |
| Bond angle RMS Z-score | 0.558 | 0.711 |
| Model quality | ||
| Ramachandran plot normality | -3.034 16 | -2.589 21 |
| Rotamer normality | -4.025 25 | -3.330 35 |
| Coarse packing | -0.843 21 | -0.570 33 |
| Fine packing | -2.108 12 | -1.443 34 |
| Bump severity | 0.523 1 | 0.186 6 |
| Hydrogen bond satisfaction | 0.815 7 | 0.847 13 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 60 |
| Side chains flipped | 12 |
| Waters removed | 0 |
| Peptides flipped | 10 |
| Chiralities fixed | 0 |
| Residues fitting density better | 14 |
| Residues fitting density worse | 6 |