2VAO

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH ISOEUGENOL

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	128.380, 128.380, 130.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.215
Rwork	0.214
R-free	0.29500 *
Structure solution method	DENSITY AVERAGING AND LEAST SQUARES REFINEMENT
RMSD bond length	0.017
RMSD bond angle	21.129 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.118 *	0.322
Total number of observations	175968 *
Number of reflections	23480
<I/σ(I)>	8	3
Completeness [%]	90.6	83.1
Redundancy	7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		FROM 6% PEG4000, 100 MM ACETATE BUFFER PH 4.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	6 (%(w/v))
2	1	reservoir	sodium acetate/HCl	0.1 (M)