3DHE

ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS II
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1996-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	123.660, 45.190, 61.300
Unit cell angles	90.00, 99.10, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.184
Rwork	0.184
R-free	0.24900
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1iol
RMSD bond length	0.008 *
RMSD bond angle	1.380 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.090
Total number of observations	25462 *
Number of reflections	14316
Completeness [%]	95.0	86
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		pH 7.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%)
2	1	reservoir	beta-octylglucoside	0.06 (%(w/v))
3	1	reservoir		0.12 (M)
4	1	reservoir	HEPES	0.1 (M)
5	1	drop	protain	1 (mM)	saturating