1DB1

CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-07-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	45.193, 52.443, 133.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
Rwork	0.191
R-free	0.21400
RMSD bond length	0.004 *
RMSD bond angle	1.083 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.240
Number of reflections	29434
<I/σ(I)>	22.1
Completeness [%]	97.4	95.3
Redundancy	4.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	4 *	ammonium sulfate, mes, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4-10 (mg/ml)
2	1	drop	ammonium sulfate	0.7 (M)
3	1	drop	MES	50 (mM)
4	1	drop	Tris-HCl	5 (mM)
5	1	drop	dithiothreitol	5 (mM)
6	1	reservoir	ammonium sulfate	1.4 (M)
7	1	reservoir	MES	0.1 (M)