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Structural studies of a Glycoside Hydrolase Family 3 beta- glucosidase from the Model Fungus Neurospora crassa |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 142.931 Å | b: 286.837 Å | c: 58.045 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.25 Å | Reflections | 113556 | Test set | 5627 (5.0%) | ||
R | 0.1804 | R-free | 0.2197 | ||||
According to PDB-REDO | |||||||
Resolution | 2.25 Å | Reflections | 113556 | Test set | 5627 (5.0%) | ||
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 | 0.1815 | 0.1707 |
R-free | 0.2207 | 0.2040 |
Bond length RMS Z-score | 0.738 | 0.424 |
Bond angle RMS Z-score | 0.720 | 0.627 |
Model quality | ||
Ramachandran plot normality | -1.612 39 | -1.308 47 |
Rotamer normality | -1.777 55 | -1.425 63 |
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 | 38 |
Side chains flipped | 0 |
Waters removed | 46 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 9 |
Residues fitting density worse | 0 |