6ATE

SRC kinase bound to covalent inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	41.510, 62.758, 105.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.468 - 2.402
R-factor	0.1947
Rwork	0.193
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ybk
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12rc1_2807: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.448
Number of reflections	10871	381
<I/σ(I)>	1.4
Completeness [%]	96.0
Redundancy	9.9
CC(1/2)		0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES, pH 6.5, 16%-20% PEG 3350, 350 mM - 420mM NaOAc