6STI

Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-07
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934000
Spacegroup name	P 43 21 2
Unit cell lengths	65.963, 65.963, 111.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.640 - 1.892
Rwork	0.156
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e94
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.640	1.960
High resolution limit [Å]	1.892	1.892
Number of reflections	20270	1975
<I/σ(I)>	51.1
Completeness [%]	100.0
Redundancy	9.9
CC(1/2)	0.720	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	17.5% PEG3350, 0.7 M CH3COONH4, 30 mM CH3COONa pH4.6