5ZQU

Crystal structure of tetrameric RXRalpha-LBD complexed with partial agonist CBt-PMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2017-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	46.571, 100.492, 111.010
Unit cell angles	90.00, 99.27, 90.00

Refinement procedure

Resolution	36.520 - 2.600
R-factor	0.224430268151
Rwork	0.222
R-free	0.26964
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8r
RMSD bond length	0.006
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	31000	4927
<I/σ(I)>	9.9	1.5
Completeness [%]	99.6
Redundancy	3.7
CC(1/2)	0.997	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	200mM sodium bromide, 20% polyethylene glycol 3350