7A77

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 43 21 2
Unit cell lengths	66.189, 66.189, 110.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 1.500
R-factor	0.1535
Rwork	0.152
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sjm
RMSD bond length	0.015
RMSD bond angle	1.580
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.100	43.100	1.550
High resolution limit [Å]	1.500	5.810	1.500
Rmerge	0.073	0.053	0.703
Rmeas	0.078	0.055	0.759
Rpim	0.019	0.014	0.199
Number of reflections	40177	821	3855
<I/σ(I)>	20		4
Completeness [%]	100.0	99.8	100
Redundancy	15.6	13.9	14.2
CC(1/2)	0.999	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	17% PEG 3350, 0.2M ammonium actetate, 0.1M tris, pH 8.0