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| Complex structure of bat CD26 and MERS-RBD |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 2.1 |
| 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 | 0.1999 | R-free | 0.2406 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.10 Å | Reflections | 95318 | Test set | 4577 (4.8%) | ||
| 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 | 0.2156 | 0.1957 |
| R-free | 0.2512 | 0.2206 |
| Bond length RMS Z-score | 0.479 | 0.414 |
| Bond angle RMS Z-score | 0.640 | 0.629 |
| Model quality | ||
| Ramachandran plot normality | -2.975 16 | -2.314 24 |
| Rotamer normality | -4.025 25 | -3.052 39 |
| Coarse packing | -0.304 46 | 0.026 63 |
| Fine packing | -2.106 12 | -1.510 31 |
| Bump severity | 0.523 1 | 0.203 5 |
| Hydrogen bond satisfaction | 0.816 7 | 0.846 12 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 74 |
| Side chains flipped | 12 |
| Waters removed | 0 |
| Peptides flipped | 18 |
| Chiralities fixed | 0 |
| Residues fitting density better | 28 |
| Residues fitting density worse | 1 |