4DK8

Crystal structure of LXR ligand binding domain in complex with partial agonist 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2001-10-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	88.145, 88.145, 198.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.730 - 2.750
R-factor	0.312
Rwork	0.245
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
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]	40.000	40.000	2.850
High resolution limit [Å]	2.750	5.920	2.750
Rmerge	0.084	0.043	0.912
Number of reflections	21100
<I/σ(I)>	16.5	28	2.2
Completeness [%]	99.6	97	100
Redundancy	8.3	7.6	8.2

Crystallization Conditions

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