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 |