1AHI

7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID

Experimental procedure

Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-11-19
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 41 21 2
Unit cell lengths	81.590, 81.590, 214.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.18
Rwork	0.180
R-free	0.25000
RMSD bond length	0.012
RMSD bond angle	24.100 *
Data reduction software	PROCESS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.700
High resolution limit [Å]	2.300
Rmerge	0.089	0.263 *
Total number of observations	86785 *
Number of reflections	28878
Completeness [%]	86.9	64.6 *
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	293 *	drop solution was prepared by mixing the protein, reservoir and detergent solutions, buffered by 100mM Tris, at the ratio of 4:3:1. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	NAD+	4 (mg/ml)
3	1	reservoir	PEG6000	28 (%(w/v))
4	1	reservoir	sodium acetate	200 (mM)
5	1	reservoir	beta-octylglucoside	0.8 (%(w/v))