4DK7

Crystal structure of LXR ligand binding domain in complex with full agonist 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	87.261, 87.261, 197.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.450
R-factor	0.276
Rwork	0.230
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.540
High resolution limit [Å]	2.450	5.250	2.450
Rmerge	0.060	0.029	0.779
Number of reflections	28779
<I/σ(I)>	11	31.2	2
Completeness [%]	99.9	99.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.1 M Tris pH 8, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, vapor diffusion, temperature 293K