1EQU

TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	1997-09-26
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	44.020, 114.160, 114.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 3.000
R-factor	0.182
Rwork	0.182
R-free	0.31500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bhs
RMSD bond length	0.011
RMSD bond angle	24.060 *
Data reduction software	DENZO
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	3.230
High resolution limit [Å]	3.000	3.000
Rmerge	0.091
Total number of observations	28469 *
Number of reflections	11408
<I/σ(I)>	6.5	1.7
Completeness [%]	93.1	92
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		VAP. DIFF. FROM 28% PEG 4000 IN HEPES BUFFER, PH 7.5, CONTAINING 1 MM EQUILIN, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	28 (%)
2	1	reservoir	HEPES
3	1	reservoir	equilin	1 (mM)