1AFS

RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE

Experimental procedure

Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	96.400, 157.100, 49.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.188
Rwork	0.188
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lwi
RMSD bond length	0.009
RMSD bond angle	24.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	0.327
Number of reflections	26156
<I/σ(I)>	18	4.3
Completeness [%]	98.2	92.7
Redundancy	4.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.4		pH 6.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ternary complex	10 (mg/ml)
2	1	reservoir	PEG8000	20-21 (%)
3	1	reservoir	sodium cacodylate	0.1 (M)