5YXB

A ligand binding to FXR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0050
Spacegroup name	P 42 2 2
Unit cell lengths	86.399, 86.399, 75.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.400 - 2.950
R-factor	0.2486
Rwork	0.246
R-free	0.28210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.462
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall
Low resolution limit [Å]	86.400
High resolution limit [Å]	2.950
Number of reflections	6401
<I/σ(I)>	4.1
Completeness [%]	99.7
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	200mM NaSCN, 25% (W/V) PEG 600