1MG5

Crystal structure of Drosophila melanogaster alcohol dehydrogenase complexed with NADH and acetate at 1.6 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-10
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	47.481, 69.519, 75.923
Unit cell angles	90.00, 89.13, 90.00

Refinement procedure

Resolution	20.000 - 1.630
Rwork	0.168
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a4u
RMSD bond length	0.010
RMSD bond angle	2.140 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.680
High resolution limit [Å]	1.630	1.630
Rmerge	0.082	0.360
Total number of observations	438968 *
Number of reflections	60633
<I/σ(I)>	19.7
Completeness [%]	96.7	73.3
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.6 *	277	0.1 M TRIS/HCl, 30% PEG4000, 0.2M NaAcetate trihydrate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH8.6
3	1	reservoir	dithiothreitol	10 (mM)
4	1	reservoir	NADH	10 (mM)