This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations. |
This entry was created with PDB-REDO version 7.12. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 21 21 2 | a: 105.937 Å | b: 132.425 Å | c: 56.551 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.30 Å | Reflections | 36095 | Test set | 1805 (5.0%) | ||
R | 0.1840 | R-free | 0.2330 | ||||
According to PDB-REDO | |||||||
Resolution | 2.30 Å | Reflections | 36095 | Test set | 1805 (5.0%) | ||
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 | 0.2051 | 0.1939 |
R-free | 0.2419 | 0.2213 |
Bond length RMS Z-score | 0.345 | 0.672 |
Bond angle RMS Z-score | 0.540 | 0.831 |
Model quality | ||
Ramachandran plot normality | -1.664 36 | -0.280 74 |
Rotamer normality | -2.864 42 | -1.831 61 |
Coarse packing | -0.924 18 | -0.537 34 |
Fine packing | -0.839 59 | -0.104 80 |
Bump severity | 0.020 39 | 0.003 82 |
Hydrogen bond satisfaction | 0.906 58 | 0.908 61 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 9 |
Side chains flipped | 27 |
Waters removed | 20 |
Peptides flipped | 3 |
Chiralities fixed | 0 |
Residues fitting density better | 43 |
Residues fitting density worse | 0 |