8CK3

STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol

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	2017-12-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99996
Spacegroup name	C 1 2 1
Unit cell lengths	72.671, 83.594, 40.935
Unit cell angles	90.00, 106.86, 90.00

Refinement procedure

Resolution	53.470 - 1.707
R-factor	0.199
Rwork	0.197
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.470	1.905
High resolution limit [Å]	1.707	1.707
Rmeas	0.072
Rpim	0.050	0.579
Number of reflections	15973	799
<I/σ(I)>	11.8
Completeness [%]	62.7
Redundancy	3.4
CC(1/2)	0.999	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 0.1 M BIS TRIS pH 6.0