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Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 62 | a: 159.757 Å | b: 159.757 Å | c: 56.931 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 2.50 Å | Reflections | 29017 | Test set | 1477 (5.1%) | ||
R | 0.2070 | R-free | 0.2460 | ||||
According to PDB-REDO | |||||||
Resolution | 2.50 Å | Reflections | 29017 | Test set | 1477 (5.1%) | ||
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 | 0.2084 | 0.1883 |
R-free | 0.2426 | 0.2098 |
Bond length RMS Z-score | 1.546 | 0.246 |
Bond angle RMS Z-score | 0.817 | 0.463 |
Model quality | ||
Ramachandran plot normality | -2.708 19 | -0.473 68 |
Rotamer normality | -2.726 44 | -0.482 86 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 3.646 0 | 4.670 0 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 10 |
Side chains flipped | 0 |
Waters removed | 6 |
Peptides flipped | 0 |
Chiralities fixed | 20 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |