6GCW

Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	124
Detector technology	PIXEL
Collection date	2016-11-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	P 1 21 1
Unit cell lengths	44.916, 119.798, 52.810
Unit cell angles	90.00, 90.56, 90.00

Refinement procedure

Resolution	44.910 - 2.000
R-factor	0.2197
Rwork	0.217
R-free	0.27430
RMSD bond length	0.009
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.910	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.121	0.742
Rmeas	0.168	1.022
Rpim	0.117	0.699
Number of reflections	36844	3709
<I/σ(I)>	6.8
Completeness [%]	97.7	98.85
Redundancy	1.5
CC(1/2)	0.951	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	291.1	TRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVI TENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRY MEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPT LYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKLQ