3AUN

Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a synthetic peptide containing the NR2 box of DRIP 205

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Detector technology	CCD
Collection date	2010-05-20
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	44.237, 136.521, 47.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.310 - 1.810
R-factor	0.1979
Rwork	0.196
R-free	0.23656
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zfx
RMSD bond length	0.014
RMSD bond angle	1.366
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.870
High resolution limit [Å]	1.800	1.800
Number of reflections	27038
Completeness [%]	98.6	98.6
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K