1HSO

HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1996-02-28
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.700, 100.200, 69.100
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	44.000 - 2.500
R-factor	0.194
Rwork	0.248
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1deh
RMSD bond length	0.008
RMSD bond angle	1.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.092	0.294
Total number of observations	48374 *
Number of reflections	23704
<I/σ(I)>	10.5	3.2
Completeness [%]	92.9	83
Redundancy	2.05	1.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.2	24 *	14% (w/v) PEG 6000, 100 mM ACES, 2mM NAD+, 2mM 4-iodopyrazole, 10 mg/ml protein, pH 7.2, VAPOR DIFFUSION, SITTING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG6000	14 (%)
2	1	1	Na-ACES	100 (mM)
3	1	1	NAD+	2 (mM)
4	1	1	4-iodopyrazole	2 (mM)
5	1	1	protein	10 (mg/ml)