5Q0U

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	2008-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.900, 84.250, 190.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.570 - 1.900
R-factor	0.197
Rwork	0.196
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	1.990
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.648
Number of reflections	45370	5874
<I/σ(I)>	11.38	1.84
Completeness [%]	98.6	99.9
Redundancy	4.79	4.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	6.5	298	0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000