1AHU

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

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	1996-11
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	128.820, 128.820, 130.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 * - 2.700
R-factor	0.222
Rwork	0.221
R-free	0.29300 *
Structure solution method	DENSITY AVERAGING AND LEAST SQUARES REFINEMENT
RMSD bond length	0.015
RMSD bond angle	20.600 *
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.097 *	0.312
Total number of observations	193846 *
Number of reflections	27926
<I/σ(I)>	8	3
Completeness [%]	95.4	84.2 *
Redundancy	6	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)