1N83

Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2001-08-30
Detector	MARRESEARCH
Wavelength(s)	0.8727
Spacegroup name	P 1 21 1
Unit cell lengths	54.800, 49.700, 60.500
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	15.000 - 1.630
R-factor	0.2018
Rwork	0.201
R-free	0.23000 *
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	1.110 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.690
High resolution limit [Å]	1.630	1.630
Rmerge	0.040 *
Total number of observations	141730 *
Number of reflections	38783
<I/σ(I)>	32	2.1
Completeness [%]	95.4	67.3
Redundancy	3.65	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4 *	20 *	PEG 4000, sodium acetate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	100 (mM)	pH8.4
2	1	reservoir	PEG6000	19 (%)
3	1	reservoir		0.2 (M)