1FDT

HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRADIOL AND NADP+

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	130
Detector technology	AREA DETECTOR
Collection date	1995-02
Detector	XENTRONICS
Spacegroup name	C 1 2 1
Unit cell lengths	122.770, 43.790, 60.530
Unit cell angles	90.00, 99.47, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.193
Rwork	0.193
R-free	0.24300
RMSD bond length	0.013
RMSD bond angle	1.630 *
Data reduction software	XENGEN (V. 2.0)
Data scaling software	XENGEN (V. 2.0)
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]	2.150	2.150
Rmerge	0.058 *
Total number of observations	29073 *
Number of reflections	13157
<I/σ(I)>	14.8	2
Completeness [%]	73.6
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *			Zhu, D.-W., (1993) J. Mol. Biol., 234, 242. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	beta-octylglucoside	2 (mM)
3	1	drop	glycerol	20 (%)
4	1	reservoir	HEPES	100 (mM)
5	1	reservoir		100 (mM)
6	1	reservoir	PEG4000	24-26 (%)