7A78

Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	63.634, 63.634, 110.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.720
R-factor	0.1779
Rwork	0.176
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sjm
RMSD bond length	0.013
RMSD bond angle	1.356
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	1.780
High resolution limit [Å]	1.720	6.660	1.720
Rmerge	0.059	0.038	0.875
Rmeas	0.066	0.041	0.990
Rpim	0.023	0.015	0.341
Number of reflections	24821	527	2373
<I/σ(I)>	15.3		2.3
Completeness [%]	100.0	99.8	100
Redundancy	8	7.1	8.3
CC(1/2)	0.999	0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	16% low molecular weight PEG smears, 0.1M HEPES, pH 7.5, 5% ethylene glycol, 0.1M KCl