5Q0N

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	2007-10-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	72.340, 84.530, 191.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 2.400
R-factor	0.19
Rwork	0.188
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020
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]	41.300	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.113	0.683
Number of reflections	30214	3721
<I/σ(I)>	10.22	2.35
Completeness [%]	99.9	99.9
Redundancy	7.27	6.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	7.5	298	0.2 M Mg Chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350