6E2N

ASK1 kinase domain complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	39.897, 107.113, 156.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.178 - 2.098
R-factor	0.2172
Rwork	0.215
R-free	0.25700
RMSD bond length	0.007
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.402
Number of reflections	39942	2132
<I/σ(I)>	13.8
Completeness [%]	99.8	100
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	24% PEG 400, 100mM Bis-Tris pH 7.5, 3% PPG 400, 10mM TCEP