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Crystal structure of TxGH116 E730A mutant from Thermoanaerobacterium xylanolyticum with glucose |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 177.364 Å | b: 54.708 Å | c: 83.216 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.85 Å | Reflections | 69550 | Test set | 3398 (4.9%) | ||
R | 0.1545 | R-free | 0.1934 | ||||
According to PDB-REDO | |||||||
Resolution | 1.85 Å | Reflections | 69550 | Test set | 3398 (4.9%) | ||
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 | |
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Crystallographic refinement | ||
R | 0.1543 | 0.1511 |
R-free | 0.1929 | 0.1820 |
Bond length RMS Z-score | 1.339 | 0.397 |
Bond angle RMS Z-score | 1.055 | 0.724 |
Model quality | ||
Ramachandran plot normality | -0.864 59 | -0.803 61 |
Rotamer normality | -1.192 68 | -1.068 71 |
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 | 17 |
Side chains flipped | 6 |
Waters removed | 28 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |