2HE8

Crystal structure of 17alpha-hydroxysteroid dehydrogenase in its apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-01-11
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	98.060, 94.950, 69.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.210 - 1.900
R-factor	0.198
Rwork	0.198
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.600
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.210		2.000
High resolution limit [Å]	1.900	5.000	1.900
Rmerge	0.068	0.021	0.495
Number of reflections	50906
<I/σ(I)>	16.65	54.1	3.1
Completeness [%]	97.3	96.3	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	16-18% PEG-4000, 0.1M MES, 0.2M (NH4)2Ac, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K