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| Structure of post fusion core of 2019-nCoV S2 subunit |
| This entry was created with PDB-REDO version 7.30. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 51.240 Å | b: 57.580 Å | c: 115.720 Å | α: 90.00° | β: 91.58° | γ: 90.00° |
| Resolution | 2.90 Å | Reflections | 14313 | Test set | 737 (5.1%) | ||
| R | 0.2590 | R-free | 0.2900 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.90 Å | Reflections | 14313 | Test set | 737 (5.1%) | 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 | 0.2604 | 0.2853 |
| R-free |
0.3125
R-free was considered biased, the
estimated unbiased R-free was used
|
0.3450 |
| Bond length RMS Z-score | 0.721 | 0.608 |
| Bond angle RMS Z-score | 0.994 | 0.802 |
| Model quality | ||
| Ramachandran plot normality | -3.417 13 | -3.276 14 |
| Rotamer normality | -4.018 25 | -4.528 20 |
| Coarse packing | 1.725 99 | 1.637 98 |
| Fine packing | 2.834 99 | 2.296 98 |
| Bump severity | 0.026 33 | 0.111 9 |
| Hydrogen bond satisfaction | 0.941 94 | 0.934 90 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 20 |
| Side chains flipped | 0 |
| Waters removed | 0 |
| Peptides flipped | 8 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 3 |