6OYT

ASK1 kinase domain in complex with GS-4997

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	86.510, 73.590, 95.140
Unit cell angles	90.00, 97.77, 90.00

Refinement procedure

Resolution	47.133 - 2.824
R-factor	0.2349
Rwork	0.232
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bf2
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.980
High resolution limit [Å]	2.820	2.820
Rmerge	0.104	0.780
Number of reflections	51795	7763
<I/σ(I)>	9.4
Completeness [%]	92.8	86
Redundancy	1.8
CC(1/2)	0.996	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Na Acetate pH 5.5, 2% PEG4K and 30% polyacrylic acid.