3VT6

Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Collection date	2007-10-18
Wavelength(s)	0.97800
Spacegroup name	C 1 2 1
Unit cell lengths	153.734, 42.724, 42.271
Unit cell angles	90.00, 95.55, 90.00

Refinement procedure

Resolution	41.150 - 2.300
R-factor	0.21
Rwork	0.210
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zlc
RMSD bond length	0.004
RMSD bond angle	0.600
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]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	11212

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	MOPS-Na, sodium formate, PEG 4000, ethyleneglycol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K