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structure of the receptor binding domain (RBD) of MERS-CoV spike |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 46.977 Å | b: 108.473 Å | c: 125.925 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.51 Å | Reflections | 22483 | Test set | 1154 (5.1%) | ||
R | 0.2080 | R-free | 0.2510 | ||||
According to PDB-REDO | |||||||
Resolution | 2.51 Å | Reflections | 22483 | Test set | 1154 (5.1%) | 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 | 0.2100 | 0.1964 |
R-free | 0.2544 | 0.2272 |
Bond length RMS Z-score | 0.273 | 0.353 |
Bond angle RMS Z-score | 0.469 | 0.586 |
Model quality | ||
Ramachandran plot normality | -2.166 27 | -0.953 54 |
Rotamer normality | -3.159 37 | -1.340 71 |
Coarse packing | -1.150 12 | -0.858 21 |
Fine packing | -2.147 11 | -1.717 23 |
Bump severity | 0.272 4 | 0.229 5 |
Hydrogen bond satisfaction | 0.838 10 | 0.862 18 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 13 |
Side chains flipped | 0 |
Waters removed | 9 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 6 |
Residues fitting density worse | 0 |