1DHT

ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DIHYDROTESTOSTERONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Collection date	1997-02
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 - 2.240
R-factor	0.189 *
Rwork	0.188
R-free	0.27800 *
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1iol
RMSD bond length	0.010 *
RMSD bond angle	1.460 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.340
High resolution limit [Å]	2.240 *	2.240
Rmerge	0.038	0.041
Total number of observations	39772 *
Number of reflections	14692
Completeness [%]	97.0	96
Redundancy	2.7

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