8HBM

Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	50.650, 60.016, 241.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 3.300
R-factor	0.2529
Rwork	0.248
R-free	0.30080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r0n
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.400
High resolution limit [Å]	3.300	3.300
Number of reflections	11689	1131
<I/σ(I)>	7.8
Completeness [%]	97.5	91.12
Redundancy	19.99
CC(1/2)	0.934	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100mM BTP pH 6.7, 10mM MgCl2, 50mM MgSO4, 50mM Li2SO4, 5mM DTT, 16% PEG 3350