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CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. |
This entry was created with PDB-REDO version 8.01. |
From original header | |||||||
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Spacegroup | F 2 2 2 | a: 112.885 Å | b: 147.371 Å | c: 153.442 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.10 Å | Reflections | 39495 | Test set | 3205 (8.1%) | ||
R | 0.2310 | R-free | 0.2620 | ||||
According to PDB-REDO | |||||||
Resolution | 2.00 Å | Reflections | 39495 | Test set | 3205 (8.1%) | ||
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 | 0.2935 | 0.2011 |
R-free | 0.3180 | 0.2347 |
Bond length RMS Z-score | 0.231 | 0.465 |
Bond angle RMS Z-score | 0.557 | 0.715 |
Model quality | ||
Ramachandran plot normality | -3.056 16 | -0.330 72 |
Rotamer normality | -2.565 47 | -1.060 76 |
Coarse packing | -0.230 50 | -0.122 55 |
Fine packing | -0.990 53 | -0.375 74 |
Bump severity | 0.028 31 | 0.007 67 |
Hydrogen bond satisfaction | 0.907 60 | 0.910 64 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 47 |
Peptides flipped | 2 |
Chiralities fixed | 0 |
Residues fitting density better | 38 |
Residues fitting density worse | 2 |