6GCX

Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	45.868, 47.172, 63.432
Unit cell angles	90.00, 98.50, 90.00

Refinement procedure

Resolution	45.364 - 1.553
R-factor	0.1857
Rwork	0.184
R-free	0.21860
RMSD bond length	0.006
RMSD bond angle	0.951
Data reduction software	XDS
Data scaling software	autoPROC
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.364	1.600
High resolution limit [Å]	1.550	1.550
Rmerge	0.050	0.452
Rmeas	0.069	0.619
Rpim	0.047	0.421
Number of reflections	35549
<I/σ(I)>	10.7	2.1
Completeness [%]	91.4	99.12
Redundancy	3.1
CC(1/2)	0.988	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	291.1	7.7mg/ml PEG4K LiSO4