5Q1H

Ligand binding to FARNESOID-X-RECEPTOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	55.414, 183.879, 55.787
Unit cell angles	90.00, 98.36, 90.00

Refinement procedure

Resolution	33.800 - 2.200
R-factor	0.182
Rwork	0.180
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.280
High resolution limit [Å]	2.200	4.741	2.200
Rmerge	0.060	0.039	0.667
Total number of observations	207659
Number of reflections	55434
<I/σ(I)>	15.6
Completeness [%]	99.9	99.2	99.8
Redundancy	3.7	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	5.5	298	0.1 M BIS-TRIS pH 5.5, 25%PEG3350