1DEH

CRYSTALLIZATION OF HUMAN BETA1 ALCOHOL DEHYDROGENASE (15 MG/ML) IN 50 MM SODIUM PHOSPHATE (PH 7.5), 2.0 MM NAD+ AND 1 MM 4-IODOPYRAZOLE AT 25 OC, 13% (W/V) PEG 8000

Experimental procedure

Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1995
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1
Unit cell lengths	54.040, 44.540, 93.320
Unit cell angles	92.56, 103.26, 68.84

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.18
Rwork	0.180
R-free	0.26000 *
RMSD bond length	0.009
RMSD bond angle	25.390 *
Data reduction software	R-AXIS (IIC (HAGASHI/RIGAKU))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000
High resolution limit [Å]	2.190	2.200 *
Rmerge	0.100
Total number of observations	67571 *
Number of reflections	34095
Completeness [%]	83.0	70 *
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	sodium phosphate	50 (mM)
3	1	reservoir	NAD+	2 (mM)
4	1	reservoir	4-iodopyrazole	1 (mM)
5	1	reservoir	PEG8000	13.5 (%(w/v))