6HL0

Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-30
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	85.359, 34.558, 82.880
Unit cell angles	90.00, 103.05, 90.00

Refinement procedure

Resolution	41.578 - 1.660
R-factor	0.2161
Rwork	0.215
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4QE6
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	1.750
High resolution limit [Å]	1.660	1.660
Rmerge	0.119
Rmeas	0.140
Rpim	0.073
Number of reflections	26862	2941
<I/σ(I)>	6.8	0.3
Completeness [%]	95.5	74
Redundancy	3.6	2.7
CC(1/2)	0.996	0.123

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	50 mM Ca(CH3COO)2, 10 mM DTT, 25-30% PEG 3350, 100 mM Tris