| Complex structure of bat CD26 and MERS-RBD |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 2.2 |
| 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 | true | Radiation damage | 92 | ||||
| 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 | 0.2179 | 0.1739 |
| R-free | 0.2502 | 0.2136 |
| Bond length RMS Z-score | 0.507 | 0.311 |
| Bond angle RMS Z-score | 0.648 | 0.543 |
| Model quality | ||
| Ramachandran plot normality | -2.967 17 | -2.270 26 |
| Rotamer normality | -4.040 18 | -2.887 34 |
| Coarse packing | -0.294 35 | -0.021 48 |
| Fine packing | -2.106 12 | -1.699 24 |
| Bump severity | 0.524 1 | 0.507 1 |
| Hydrogen bond satisfaction | 0.815 7 | 0.843 12 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 62 |
| Side chains flipped | 12 |
| Waters removed | 0 |
| Peptides flipped | 33 |
| Chiralities fixed | 0 |
| Residues fitting density better | 3318 |
| Residues fitting density worse | 0 |