3OXZ
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-28 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.883, 59.906, 66.281 |
Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
Rwork | 0.218 |
R-free | 0.26130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iep |
Data reduction software | HKL-2000 |
Data scaling software | HKL-3000 |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 15384 | |
Completeness [%] | 92.1 | 89.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 30% w/v polyethylene glycol, 0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |