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Crystal structure of Abl2/Arg kinase in complex with dasatinib |
This entry was created with PDB-REDO version 7.36. |
From original header | |||||||
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Spacegroup | P 65 | a: 109.688 Å | b: 109.688 Å | c: 121.520 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 2.50 Å | Reflections | 28720 | Test set | 1476 (5.1%) | ||
R | 0.1540 | R-free | 0.2050 | ||||
According to PDB-REDO | |||||||
Resolution | 2.50 Å | Reflections | 28720 | Test set | 1476 (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 | 0.1483 | 0.1595 |
R-free | 0.1950 | 0.1947 |
Bond length RMS Z-score | 0.875 | 0.697 |
Bond angle RMS Z-score | 0.964 | 0.892 |
Model quality | ||
Ramachandran plot normality | -3.507 12 | -1.771 34 |
Rotamer normality | -3.149 37 | -1.733 63 |
Coarse packing | -1.162 12 | -0.855 21 |
Fine packing | -0.150 80 | 0.259 87 |
Bump severity | 0.022 37 | 0.012 53 |
Hydrogen bond satisfaction | 0.885 33 | 0.886 34 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 2 |
Peptides flipped | 2 |
Chiralities fixed | 0 |
Residues fitting density better | 2 |
Residues fitting density worse | 1 |