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Crystal structure of TxGH116 R786A 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: 177.444 Å | b: 54.225 Å | c: 83.112 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.80 Å | Reflections | 73778 | Test set | 3595 (4.9%) | ||
R | 0.1527 | R-free | 0.1815 | ||||
According to PDB-REDO | |||||||
Resolution | 1.80 Å | Reflections | 73778 | Test set | 3595 (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 | 0.1550 | 0.1486 |
R-free | 0.1839 | 0.1746 |
Bond length RMS Z-score | 1.294 | 0.353 |
Bond angle RMS Z-score | 1.020 | 0.685 |
Model quality | ||
Ramachandran plot normality | -0.999 55 | -0.897 58 |
Rotamer normality | -1.407 63 | -1.007 72 |
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 | 13 |
Side chains flipped | 7 |
Waters removed | 19 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |