4Q0A

Vitamin D Receptor complex with lithocholic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 65 2 2
Unit cell lengths	66.213, 66.213, 262.571
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.213
Rwork	0.213
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	28123
Completeness [%]	97.1	76.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	BTP 0.1M, NaOAc 3M, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 290K