4MXX
Human Src A403T mutant 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 | 2012-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.13 |
Spacegroup name | P 1 |
Unit cell lengths | 41.780, 63.050, 73.770 |
Unit cell angles | 79.47, 89.19, 90.02 |
Refinement procedure
Resolution | 36.427 - 2.600 |
R-factor | 0.2133 |
Rwork | 0.206 |
R-free | 0.27630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.142 |
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] | 62.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.121 | |
Number of reflections | 20894 | |
<I/σ(I)> | 5.6 | 0.487 |
Completeness [%] | 91.8 | 92.5 |
Redundancy | 1.9 | 1.9 |
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 |