| Crystal structure of MERS-CoV complexed with human DPP4 |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 2.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 61 2 2 | a: 110.609 Å | b: 110.609 Å | c: 527.713 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
| Resolution | 3.00 Å | Reflections | 39452 | Test set | 1979 (5.0%) | ||
| R | 0.2051 | R-free | 0.2530 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.01 Å | Reflections | 39452 | Test set | 1979 (5.0%) | ||
| Twin | false | Radiation damage | 59 | ||||
| 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 | 0.2187 | 0.1901 |
| R-free | 0.2553 | 0.2349 |
| Bond length RMS Z-score | 0.774 | 0.583 |
| Bond angle RMS Z-score | 0.949 | 0.774 |
| Model quality | ||
| Ramachandran plot normality | -2.999 17 | -2.824 19 |
| Rotamer normality | -3.700 22 | -3.519 24 |
| Coarse packing | -0.134 43 | -0.077 45 |
| Fine packing | -1.758 21 | -1.489 32 |
| Bump severity | 0.518 1 | 0.489 2 |
| Hydrogen bond satisfaction | 0.839 11 | 0.846 13 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 13 |
| Side chains flipped | 0 |
| Waters removed | 0 |
| Peptides flipped | 7 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |