9S70

Crystal structure of RXR alpha LBD bound to a partial agonist 21 and a coactivator fragment SRC1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-17
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.8731
Spacegroup name	P 32 2 1
Unit cell lengths	76.962, 76.962, 80.685
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.730 - 1.950
R-factor	0.1895
Rwork	0.188
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.730	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.166	0.866
Rmeas	0.175	0.911
Rpim	0.055	0.283
Number of reflections	20595	2882
<I/σ(I)>	9.67	2.09
Completeness [%]	99.9	99.69
Redundancy	9.9	10.2
CC(1/2)	0.997	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	20% PEG2000, 0.1M Mes pH 6.5