4MXZ

Src M314L T338M double 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	2013-03-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.007
Spacegroup name	P 1
Unit cell lengths	41.869, 63.047, 73.956
Unit cell angles	79.03, 87.82, 89.91

Refinement procedure

Resolution	61.894 - 2.582
R-factor	0.2109
Rwork	0.208
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.131
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]	72.700	2.740
High resolution limit [Å]	2.582	2.582
Rmerge	0.195	0.475
Number of reflections	21938
<I/σ(I)>	4.4	2.1
Completeness [%]	95.8	94.2
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