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Structure of post fusion core of 2019-nCoV S2 subunit |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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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 | 0.2593 | R-free | 0.2896 | ||||
According to PDB-REDO | |||||||
Resolution | 2.90 Å | Reflections | 14313 | Test set | 737 (5.1%) | ||
Twin | false | Radiation damage | N/A | ||||
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 | 0.2605 | 0.2924 |
R-free | 0.3167 R-free was considered biased, the estimated unbiased R-free was used | 0.3321 |
Bond length RMS Z-score | 1.682 | 0.371 |
Bond angle RMS Z-score | 0.963 | 0.571 |
Model quality | ||
Ramachandran plot normality | -3.539 12 | -1.754 34 |
Rotamer normality | -3.982 26 | -2.982 40 |
Coarse packing | 3.804 100 | 3.660 100 |
Fine packing | 2.675 99 | 2.448 99 |
Bump severity | 0.026 33 | 0.056 17 |
Hydrogen bond satisfaction | 0.941 94 | 0.921 78 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 20 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 12 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 5 |