6V0M

Sterile alpha-motif from apoptosis signal-regulating kinase 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537, 1.456
Spacegroup name	P 21 21 21
Unit cell lengths	45.415, 53.558, 96.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.130 - 1.800
R-factor	0.22145
Rwork	0.219
R-free	0.26307
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.657
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.130	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.053	0.985
Rpim	0.044	0.787
Number of reflections	22425	1305
<I/σ(I)>	11.5
Completeness [%]	99.4
Redundancy	4.2
CC(1/2)	0.998	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	290	0.1 M sodium citrate tribasic dihydrate pH 5, 25 % (w/v) PEG3350