| Crystal Structure of MERS-CoV S1 N-terminal Domain |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.7 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 49.800 Å | b: 84.370 Å | c: 108.000 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.00 Å | Reflections | 31254 | Test set | 1564 (5.0%) | ||
| R | 0.1905 | R-free | 0.2217 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.00 Å | Reflections | 31254 | Test set | 1564 (5.0%) | ||
| Twin | false | Radiation damage | 8 | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2022 | 0.1921 |
| R-free | 0.2296 | 0.2331 |
| Bond length RMS Z-score | 0.528 | 0.282 |
| Bond angle RMS Z-score | 0.683 | 0.524 |
| Model quality | ||
| Ramachandran plot normality | -1.762 36 | -1.871 34 |
| Rotamer normality | -1.098 70 | -1.210 68 |
| Coarse packing | -0.382 32 | -0.388 31 |
| Fine packing | -1.486 32 | -1.247 43 |
| Bump severity | 0.959 0 | 0.980 0 |
| Hydrogen bond satisfaction | 0.839 11 | 0.838 11 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 2 |
| Side chains flipped | 1 |
| Waters removed | 24 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |