5Q1F

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	2008-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	72.686, 84.914, 189.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.700 - 2.300
R-factor	0.222
Rwork	0.221
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.100	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.649
Number of reflections	25393	3037
<I/σ(I)>	9.06	1.45
Completeness [%]	98.8	99.7
Redundancy	3.57	3.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	6.5	298	0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350