7PDQ

Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment

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	2020-02-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99998
Spacegroup name	P 43 21 2
Unit cell lengths	68.430, 68.430, 105.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 1.580
R-factor	0.1734
Rwork	0.172
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sti
RMSD bond length	0.016
RMSD bond angle	1.620
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	1.635
High resolution limit [Å]	1.579	1.579
Number of reflections	34564	2903
<I/σ(I)>	32.76
Completeness [%]	98.3
Redundancy	22
CC(1/2)	1.000	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	26% PEG3350, 0.2M NaF