7V7W

Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-02
Detector	PSI PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	65.944, 86.787, 143.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.929 - 2.507
R-factor	0.2208
Rwork	0.218
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v7l
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.091	0.049	1.231
Rmeas	0.095	0.052	1.292
Rpim	0.029	0.016	0.388
Total number of observations	313133
Number of reflections	28966	1592	1438
<I/σ(I)>	6.7
Completeness [%]	99.9	99.3	100
Redundancy	10.8	9.8	10.8
CC(1/2)		0.998	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	Sodium citrate tribasic dihydrate, 2-Propanol, PEG 4000