1OSH

A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-01
Spacegroup name	P 21 21 21
Unit cell lengths	36.656, 56.776, 117.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.000 - 1.780 *
R-factor	0.234
Rwork	0.215
R-free	0.27500 *
Structure solution method	MAD
RMSD bond length	0.024
RMSD bond angle	20.800 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	58.720
High resolution limit [Å]	1.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	PEG 8000, MgCl, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DMSO	10 (mM)
2	1	drop	protein	15 (mg/ml)
3	1	reservoir	PEG8000	15-20 (%(w/v))
4	1	reservoir	HEPES-Na	100 (mM)	pH7.5
5	1	reservoir		0.2 (M)
6	1	reservoir	dithiothreitol	1 (mM)