5Q0Z

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	2006-08-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	71.520, 83.550, 188.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.370 - 2.260
R-factor	0.237
Rwork	0.236
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
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]	37.700	2.350
High resolution limit [Å]	2.260	2.260
Rmerge	0.076	0.385
Number of reflections	25796	2426
<I/σ(I)>	12.35	1.9
Completeness [%]	95.5	79.2
Redundancy	5.67	1.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	evaporation, hanging drop	6	298	0.1 M Bis-Tris pH 6.0, 20% w/v PEG 3350