4MXO
human Src kinase bound to kinase inhibitor bosutinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2012-04-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9198 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.870, 63.185, 73.665 |
| Unit cell angles | 79.53, 89.31, 90.05 |
Refinement procedure
| Resolution | 24.912 - 2.105 |
| R-factor | 0.2124 |
| Rwork | 0.210 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.080 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.500 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.145 | 0.539 |
| Number of reflections | 41368 | |
| <I/σ(I)> | 5.8 | 2.1 |
| Completeness [%] | 95.9 | 93.8 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
