1P8D

X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-14
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.166, 120.012, 147.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700 *
R-factor	0.214
Rwork	0.214
R-free	0.27600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RXR LBD
RMSD bond length	0.014 *
RMSD bond angle	1.700
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.700 *	2.800
Rmerge	0.055 *	0.280 *
Total number of observations	141128 *
Number of reflections	19175 *
<I/σ(I)>	12.9	3
Completeness [%]	95.3 *	81.6 *
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	4 *	10-12% PEG3350-8000, 0.2M NaCl , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350-8000	10-12 (%)
2	1	reservoir		0.2 (M)
3	1	drop	protein	12-14 (mg/ml)