1HXH

COMAMONAS TESTOSTERONI 3BETA/17BETA HYDROXYSTEROID DEHYDROGENASE

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]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-15
Detector	MARRESEARCH
Wavelength(s)	0.8424
Spacegroup name	P 21 21 21
Unit cell lengths	80.024, 110.595, 115.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.220
Rwork	0.146
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hsd
RMSD bond length	0.014
RMSD bond angle	2.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.250
High resolution limit [Å]	1.180	1.220
Rmerge	0.069	0.383
Total number of observations	1409412 *
Number of reflections	314581 *
Completeness [%]	94.3	83.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	277	10% Ethanol, 250 mM NaCl, 50 mM Tris/HCl, 10 mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.9 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.5
3	1	drop	dithiothreitol	10 (mM)
4	1	reservoir	ethanol	10 (%)
5	1	reservoir		250 (mM)