6LB6

Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	65.698, 65.698, 111.194
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 2.400
R-factor	0.2244
Rwork	0.223
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lb4
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.550
High resolution limit [Å]	2.400	2.400
Number of reflections	10048	1577
<I/σ(I)>	15.4
Completeness [%]	99.9	99.6
Redundancy	12.1	12.73
CC(1/2)	0.999	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Imidazole 20 % PEG6000