1B15

ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-ACETONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1997-02-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	66.700, 53.500, 70.700
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.198 *
Rwork	0.198
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a4u
RMSD bond length	0.010 *
RMSD bond angle	2.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.240
High resolution limit [Å]	2.200	2.160
Rmerge	0.086	0.270
Total number of observations	108862 *
Number of reflections	25664
Completeness [%]	100.0	100
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.6 *	277 *	Ladenstein, R., (1995) Acta Crystallog., D51, 69. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop	isopropanol	1 (%)
4	1	drop	dithiothreitol	2 (mM)
5	1	reservoir	PEG2000	28 (%)
6	1	reservoir		0.2 (M)
7	1	reservoir	Tris-HCl	0.1 (M)