4WA9
The crystal structure of human abl1 wild type kinase domain in complex with axitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 56.626, 111.806, 128.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.286 - 2.200 |
| R-factor | 0.1751 |
| Rwork | 0.173 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.142 |
| Data scaling software | XDS |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1295)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 111.810 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.489 | |
| Number of reflections | 41543 | |
| <I/σ(I)> | 15.9 | 3 |
| Completeness [%] | 98.5 | 99.7 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 294.15 | 0.1 M Ammonium Chloride 20.0 %w/v PEG 3350 5.0 %v/v Ethylene glycol |
