1IOL

ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED 17-BETA-ESTRADIOL

Experimental procedure

Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1995-06-12
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	0.196
Rwork	0.196
R-free	0.25700
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1bhs
RMSD bond length	0.007
RMSD bond angle	23.090 *
Data reduction software	DENZO
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.061
Total number of observations	35875 *
Number of reflections	15103
Completeness [%]	94.2	86.6
Redundancy	2.37	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	28 (%)
2	1	reservoir	beta-octylglucoside	0.06 (%)
3	1	reservoir		0.16 (M)
4	1	reservoir	HEPES	0.1 (M)