5HJP

Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	66.770, 106.028, 139.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.700 - 2.600
R-factor	0.2381
Rwork	0.236
R-free	0.28260
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Number of reflections	30577
<I/σ(I)>	16.2
Completeness [%]	96.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16% to 22% PEG3350, 0.2M K-Na Tartrate