The crystal structure of human abl1 kinase domain in complex with DCC-2036 |
This entry was created with PDB-REDO version 8.07. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 60.260 Å | b: 59.700 Å | c: 59.700 Å | α: 90.00° | β: 108.71° | γ: 90.00° |
Resolution | 2.10 Å | Reflections | 30521 | Test set | 1540 (5.0%) | ||
R | 0.2130 | R-free | 0.2720 | ||||
According to PDB-REDO | |||||||
Resolution | 2.10 Å | Reflections | 30521 | Test set | 1540 (5.0%) | ||
Twin | false | Radiation damage | 76 | ||||
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 | 0.2184 | 0.2026 |
R-free | 0.2791 | 0.2477 |
Bond length RMS Z-score | 0.774 | 0.176 |
Bond angle RMS Z-score | 0.748 | 0.405 |
Model quality | ||
Ramachandran plot normality | -0.869 59 | -0.247 76 |
Rotamer normality | -0.883 74 | -0.071 89 |
Coarse packing | -0.294 35 | -0.318 34 |
Fine packing | -0.791 61 | -0.534 70 |
Bump severity | 0.018 40 | 0.011 54 |
Hydrogen bond satisfaction | 0.902 53 | 0.901 51 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 12 |
Waters removed | 22 |
Peptides flipped | 1 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |