8CK4

STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.999990
Spacegroup name	C 1 2 1
Unit cell lengths	72.287, 83.765, 41.149
Unit cell angles	90.00, 106.59, 90.00

Refinement procedure

Resolution	41.880 - 2.290
R-factor	0.213
Rwork	0.209
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.390	2.430
High resolution limit [Å]	2.290	2.290
Rmerge		0.644
Rmeas	0.101
Number of reflections	10254	1386
<I/σ(I)>	9.92
Completeness [%]	96.1
Redundancy	3.3
CC(1/2)	0.996	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	17% (w/v) PEG3350 ; 0.1 M BisTris pH 6.25