5Q0P

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	2008-05-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.880, 84.860, 190.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.540 - 1.800
R-factor	0.224
Rwork	0.223
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.940
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]	47.600	1.890
High resolution limit [Å]	1.800	1.800
Rmerge	0.056	0.718
Number of reflections	54354	7294
<I/σ(I)>	13.97	1.47
Completeness [%]	99.9	99.8
Redundancy	6.55	6.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	5.5	298	0.1M Bis-Tris pH 5.5, 2M Ammonium Sulfate