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| Structure of the N-terminal domain (NTD) of MERS-CoV spike protein |
| This entry was created with PDB-REDO version 7.32. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 51.615 Å | b: 86.609 Å | c: 88.098 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.50 Å | Reflections | 60852 | Test set | 3080 (5.1%) | ||
| R | 0.1630 | R-free | 0.1950 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.50 Å | Reflections | 60852 | Test set | 3080 (5.1%) | 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 | 0.1670 | 0.1635 |
| R-free | 0.1965 | 0.2042 |
| Bond length RMS Z-score | 0.243 | 0.733 |
| Bond angle RMS Z-score | 0.516 | 0.846 |
| Model quality | ||
| Ramachandran plot normality | -1.080 51 | -1.199 47 |
| Rotamer normality | 0.523 96 | 0.368 95 |
| Coarse packing | -0.549 34 | -0.500 36 |
| Fine packing | -1.704 23 | -1.573 29 |
| Bump severity | 0.379 2 | 0.001 92 |
| Hydrogen bond satisfaction | 0.914 70 | 0.924 81 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 2 |
| Side chains flipped | 0 |
| Waters removed | 26 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 5 |
| Residues fitting density worse | 2 |