1HSZ

HUMAN BETA-1 ALCOHOL DEHYDROGENASE (ADH1B*1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-09-22
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	43.900, 53.400, 90.200
Unit cell angles	79.90, 89.50, 69.30

Refinement procedure

Resolution	44.000 - 2.200
R-factor	0.194
Rwork	0.193
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1deh
RMSD bond length	0.009
RMSD bond angle	1.560
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	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.034	0.120
Total number of observations	66027 *
Number of reflections	33051
<I/σ(I)>	21.9
Completeness [%]	87.5	64.5
Redundancy	2	1.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	4 *	50 mM sodium phosphate, 2 mM NAD+, 14% (w/v) PEG 8000, 14 mg/ml protein, pH 7.5, VAPOR DIFFUSION, SITTING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000	14 (%)
2	1	1	sodium phosphate	50 (mM)
3	1	1	NAD+	2 (mM)
4	1	1	protein	14 (mg/ml)