5Q0O

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	2007-01-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	72.012, 83.684, 188.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.820 - 1.900
R-factor	0.193
Rwork	0.191
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.910
Data scaling software	HKL-2000
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.700	1.990
High resolution limit [Å]	1.900	1.900
Rmerge	0.085	0.529
Number of reflections	42699	4113
<I/σ(I)>	9.89	1.27
Completeness [%]	94.2	71.4
Redundancy	4.1	1.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	6.5	298	0.2M NaCl, 0.1M Bis-Tris pH 6.5, 25% PEG3350