The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with lactose |
This entry was created with PDB-REDO version 8.07. |
From original header | |||||||
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Spacegroup | P 1 | a: 70.978 Å | b: 73.588 Å | c: 73.588 Å | α: 65.55° | β: 73.42° | γ: 69.68° |
Resolution | 1.60 Å | Reflections | 175329 | Test set | 8830 (5.0%) | ||
R | 0.1394 | R-free | 0.1684 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 175329 | Test set | 8830 (5.0%) | ||
Twin | false | Radiation damage | 88 | ||||
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 | |
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Crystallographic refinement | ||
R | 0.1406 | 0.1332 |
R-free | 0.1701 | 0.1615 |
Bond length RMS Z-score | 1.348 | 0.645 |
Bond angle RMS Z-score | 1.047 | 0.748 |
Model quality | ||
Ramachandran plot normality | -0.673 65 | -0.301 75 |
Rotamer normality | 0.325 93 | 0.896 97 |
Coarse packing | 0.857 82 | 0.806 80 |
Fine packing | -1.333 39 | -1.304 40 |
Bump severity | 0.004 76 | 0.002 85 |
Hydrogen bond satisfaction | 0.902 53 | 0.904 55 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
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Rotamers changed | 14 |
Side chains flipped | 0 |
Waters removed | 164 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 3 |
Residues fitting density worse | 0 |