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Complex structure of bat CD26 and MERS-RBD |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 114.657 Å | b: 273.674 Å | c: 115.234 Å | α: 90.00° | β: 119.68° | γ: 90.00° |
Resolution | 3.10 Å | Reflections | 95318 | Test set | 4577 (4.8%) | ||
R | 0.2000 | R-free | 0.2410 | ||||
According to PDB-REDO | |||||||
Resolution | 3.10 Å | Reflections | 95318 | Test set | 4577 (4.8%) | 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 | 0.2156 | 0.2245 |
R-free | 0.2505 | 0.2464 |
Bond length RMS Z-score | 0.248 | 0.457 |
Bond angle RMS Z-score | 0.558 | 0.711 |
Model quality | ||
Ramachandran plot normality | -3.034 16 | -2.589 21 |
Rotamer normality | -4.025 25 | -3.330 35 |
Coarse packing | -0.843 21 | -0.570 33 |
Fine packing | -2.108 12 | -1.443 34 |
Bump severity | 0.523 1 | 0.186 6 |
Hydrogen bond satisfaction | 0.815 7 | 0.847 13 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 60 |
Side chains flipped | 12 |
Waters removed | 0 |
Peptides flipped | 10 |
Chiralities fixed | 0 |
Residues fitting density better | 14 |
Residues fitting density worse | 6 |