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The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 | a: 73.505 Å | b: 74.907 Å | c: 82.102 Å | α: 65.64° | β: 74.18° | γ: 68.90° |
Resolution | 2.40 Å | Reflections | 48311 | Test set | 1960 (4.1%) | ||
R | 0.2378 | R-free | 0.2759 | ||||
According to PDB-REDO | |||||||
Resolution | 2.40 Å | Reflections | 48311 | Test set | 1960 (4.1%) | ||
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 | 0.2677 | 0.2669 |
R-free | 0.3101 | 0.3080 |
Bond length RMS Z-score | 1.480 | 0.382 |
Bond angle RMS Z-score | 1.003 | 0.594 |
Model quality | ||
Ramachandran plot normality | -3.847 10 | -2.589 22 |
Rotamer normality | -3.874 20 | -2.756 36 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 26 |
Side chains flipped | 0 |
Waters removed | 106 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 22 |
Residues fitting density worse | 0 |