1DGJ

CRYSTAL STRUCTURE OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO DESULFURICANS ATCC 27774

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-01-01
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	156.639, 156.639, 177.149
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.800 - 2.800
R-factor	0.164 *
Rwork	0.164
R-free	0.22400
RMSD bond length	0.013
RMSD bond angle	1.810
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]	24.800	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.169	0.561
Total number of observations	190328 *
Number of reflections	31573 *
<I/σ(I)>	6.7
Completeness [%]	98.2	98
Redundancy	10	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	ammonium sulphate, MES, dioxane, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.8 (M)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir	dioxane	10 (%(v/v))
4	1	drop	protein	15 (mg/ml)
5	1	drop	Tris-HCl	10 (mM)