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| Post-fusion hairpin conformation of the sars coronavirus spike glycoprotein |
| This entry was created with PDB-REDO version 7.00. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | H 3 | a: 41.983 Å | b: 41.983 Å | c: 320.544 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
| Resolution | 2.20 Å | Reflections | 9636 | Test set | 0 (0.0%) | ||
| R | 0.2100 | R-free | 0.2490 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.21 Å | Reflections | 9636 | Test set |
986 (10.2%)
New test set, PDB-REDO compensated for this
|
Twin | false |
| 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 | 0.2112 | 0.1983 |
| R-free |
0.3062
R-free was considered biased, the
estimated unbiased R-free was used
|
0.2430 |
| Bond length RMS Z-score | 0.288 | 0.404 |
| Bond angle RMS Z-score | 0.449 | 0.515 |
| Model quality | ||
| Ramachandran plot normality | -1.073 42 | 1.239 96 |
| Rotamer normality | -1.940 42 | -1.631 48 |
| Coarse packing | 1.647 N/A | 1.690 N/A |
| Fine packing | 3.189 99 | 3.614 100 |
| Bump severity | 0.009 81 | 0.001 98 |
| Hydrogen bond satisfaction | 0.958 99 | 0.949 98 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 3 |
| Side chains flipped | 0 |
| Waters removed | 33 |
| Peptides flipped | 2 |
| Chiralities fixed | 0 |
| Residues fitting density better | 15 |
| Residues fitting density worse | 1 |