1VAO

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE

Experimental procedure

Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE AREA DETECTOR
Collection date	1996-10
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	130.240, 130.240, 133.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.221
Rwork	0.220
R-free	0.29700 *
Structure solution method	MIR+MR+DENSITY AVERAGING
Starting model (for MR)	P-CRESOL METHYLHYDROXYLASE
RMSD bond length	0.016
RMSD bond angle	20.890 *
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	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.088 *	0.210 *
Total number of observations	330030 *
Number of reflections	38274
<I/σ(I)>	9	3
Completeness [%]	98.9	98.3
Redundancy	10	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)