1QLU

STRUCTURE OF THE H422A MUTANT VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH ISOEUGENOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-15
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	129.840, 129.840, 133.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.22
Rwork	0.219
R-free	0.27300
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	2.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.119 *	0.321
Total number of observations	216054 *
Number of reflections	43343
<I/σ(I)>	4.9	1.9
Completeness [%]	94.8	88.4
Redundancy	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.1 *		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	5 (%(w/v))
2	1	reservoir	sodium acetate/HCl	100 (mM)