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| A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain |
| This entry was created with PDB-REDO version 8.01. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 2 | a: 105.669 Å | b: 133.322 Å | c: 56.576 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.70 Å | Reflections | 22582 | Test set | 1376 (6.1%) | ||
| R | 0.2320 | R-free | 0.2860 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.70 Å | Reflections | 22582 | Test set |
1115 (4.9%)
New test set, PDB-REDO compensated for this
|
||
| Twin | false | Radiation damage | N/A | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2833 | 0.1883 |
| R-free |
0.2730
R-free was considered biased, the
estimated unbiased R-free was used
|
0.2362 |
| Bond length RMS Z-score | 0.344 | 0.625 |
| Bond angle RMS Z-score | 0.629 | 0.828 |
| Model quality | ||
| Ramachandran plot normality | -4.007 9 | -1.377 43 |
| Rotamer normality | -3.655 30 | -2.237 53 |
| Coarse packing | -0.407 41 | 0.018 63 |
| Fine packing | -0.683 65 | 0.123 85 |
| Bump severity | 0.023 36 | 0.020 39 |
| Hydrogen bond satisfaction | 0.871 22 | 0.904 56 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 7 |
| Side chains flipped | 5 |
| Waters removed | 10 |
| Peptides flipped | 2 |
| Chiralities fixed | 0 |
| Residues fitting density better | 26 |
| Residues fitting density worse | 0 |