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| Crystal Structure of MERS-CoV S1 N-terminal Domain |
| This entry was created with PDB-REDO version 7.34. |
| 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 | 0.1910 | R-free | 0.2220 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.00 Å | Reflections | 31254 | Test set | 1564 (5.0%) | 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 | 0.2009 | 0.2044 |
| R-free | 0.2290 | 0.2403 |
| Bond length RMS Z-score | 0.250 | 0.553 |
| Bond angle RMS Z-score | 0.576 | 0.795 |
| Model quality | ||
| Ramachandran plot normality | -1.887 32 | -1.692 36 |
| Rotamer normality | -1.098 76 | -1.961 59 |
| Coarse packing | -0.808 23 | -0.846 21 |
| Fine packing | -2.618 4 | -2.514 5 |
| Bump severity | 0.960 0 | 0.951 0 |
| Hydrogen bond satisfaction | 0.905 57 | 0.920 77 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 3 |
| Side chains flipped | 1 |
| Waters removed | 8 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |