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| Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core |
| This entry was created with PDB-REDO version 8.03 using the deposited PDB model version 1.1 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 3 2 1 | a: 43.510 Å | b: 43.510 Å | c: 129.633 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
| Resolution | 2.30 Å | Reflections | 7769 | Test set | 0 (0.0%) | ||
| R | 0.2200 | R-free | 0.2610 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.20 Å | Reflections | 7769 | Test set |
799 (10.3%)
New test set, PDB-REDO compensated for this
|
||
| Twin | false | Radiation damage | N/A | ||||
| 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 | 0.2369 | 0.2059 |
| R-free |
0.2835
R-free was considered biased, the
estimated unbiased R-free was used
|
0.2646 |
| Bond length RMS Z-score | 0.422 | 0.198 |
| Bond angle RMS Z-score | 0.397 | 0.354 |
| Model quality | ||
| Ramachandran plot normality | -2.057 28 | 0.759 92 |
| Rotamer normality | -2.708 45 | -0.028 92 |
| Coarse packing | 1.148 96 | 1.637 98 |
| Fine packing | 1.794 98 | 2.842 99 |
| Bump severity | 0.003 82 | 0.000 96 |
| Hydrogen bond satisfaction | 0.950 97 | 0.977 100 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 1 |
| Side chains built | 0 |
| Waters removed | 33 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 7 |
| Residues fitting density worse | 0 |