7B88

Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor

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	64.054, 64.054, 110.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.290 - 2.380
R-factor	0.2015
Rwork	0.199
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sjm
RMSD bond length	0.009
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.290	45.290	2.510
High resolution limit [Å]	2.380	7.530	2.380
Rmerge	0.067	0.045	0.933
Rmeas	0.074	0.049	1.061
Rpim	0.026	0.018	0.365
Number of reflections	9753	376	1368
<I/σ(I)>	12.7
Completeness [%]	100.0	99.7	100
Redundancy	7.9	6.5	8.3
CC(1/2)	0.999	0.999	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	21% PEG 3350, 0.1 M Ammomium Acetate, 0.1 M tris 7.5