7NKE

Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-31
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	62.706, 67.303, 108.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.240 - 2.350
R-factor	0.17931
Rwork	0.175
R-free	0.24576
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e94
RMSD bond length	0.014
RMSD bond angle	1.642
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.250	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.080	0.458
Number of reflections	19758	2852
<I/σ(I)>	13
Completeness [%]	99.7
Redundancy	4.8
CC(1/2)	0.998	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% PEG 3350 0.2 M sodium formate