6VRE

Structure of ASK1 bound to BIO-1772961

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	77.050, 77.050, 419.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.290
Rwork	0.190
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bf2
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.290	2.290
Rmeas		1.820
Number of reflections	34321	5344
<I/σ(I)>	21.8
Completeness [%]	99.0
Redundancy	18.9
CC(1/2)	0.990	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	300	0.1M BisTRIS pH 5.5, 0.2M ammonium acetate, 3% sorbitol and 12% PEG3350