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Trichoderma reesei Cel7A E212Q mutant in complex with lactose. |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | I 2 2 2 | a: 83.540 Å | b: 82.210 Å | c: 110.734 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.09 Å | Reflections | 137894 | Test set | 6802 (4.9%) | ||
R | 0.1234 | R-free | 0.1425 | ||||
According to PDB-REDO | |||||||
Resolution | 1.09 Å | Reflections | 137894 | Test set | 6802 (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 | |
---|---|---|
Crystallographic refinement | ||
R | 0.1238 | 0.1251 |
R-free | 0.1428 | 0.1435 |
Bond length RMS Z-score | 1.087 | 0.759 |
Bond angle RMS Z-score | 0.828 | 0.790 |
Model quality | ||
Ramachandran plot normality | -0.889 59 | -0.873 59 |
Rotamer normality | 0.194 92 | 0.271 93 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 2.609 0 | 3.158 0 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 6 |
Side chains flipped | 0 |
Waters removed | 9 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 13 |