1OV4

Crystal structure of human DHEA-ST complexed with androsterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-27
Detector	ADSC QUANTUM 4
Wavelength(s)	1.07210
Spacegroup name	P 21 21 2
Unit cell lengths	75.293, 129.818, 44.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.230
R-free	0.27100 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB ENTYR 1J99
RMSD bond length	0.007
RMSD bond angle	1.300 *
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.075 *	0.424 *
Total number of observations	36310 *
Number of reflections	11911	1189 *
Completeness [%]	95.2	96.7
Redundancy	3.1 *	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	ammonium sulfate, HEPES, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris	10 (mM)	pH7.5
3	1	drop	n-octyl beta-D-glucopyranoside	0.1 (%)
4	1	reservoir	ammonium sulfate	1.6 (M)
5	1	reservoir	HEPES	0.1 (M)	pH7.5
6	1	reservoir		0.1 (M)