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The crystal structure of human ABL2 in complex with 5-AMINO-3- {[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4- TRIAZOLE-1-CARBOTHIOAMIDE |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | C 1 2 1 | a: 165.920 Å | b: 39.800 Å | c: 43.130 Å | α: 90.00° | β: 95.69° | γ: 90.00° |
Resolution | 1.65 Å | Reflections | 28807 | Test set | 1462 (5.1%) | ||
R | 0.1878 | R-free | 0.2339 | ||||
According to PDB-REDO | |||||||
Resolution | 1.65 Å | Reflections | 28807 | Test set | 1462 (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 | 0.2201 | 0.1874 |
R-free | 0.2602 | 0.2281 |
Bond length RMS Z-score | 1.053 | 0.493 |
Bond angle RMS Z-score | 0.834 | 0.660 |
Model quality | ||
Ramachandran plot normality | 0.261 85 | 0.124 83 |
Rotamer normality | -0.660 83 | -0.805 81 |
Coarse packing | -0.173 53 | 0.299 76 |
Fine packing | -0.449 72 | -0.134 80 |
Bump severity | 0.004 78 | 0.009 61 |
Hydrogen bond satisfaction | 0.932 88 | 0.930 87 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 0 |
Side chains flipped | 12 |
Waters removed | 8 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 3 |
Residues fitting density worse | 0 |