1E8G

STRUCTURE OF THE H61T DOUBLE MUTANT OF VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH FLUORO-CRESOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-15
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	130.288, 130.288, 132.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.218
Rwork	0.218
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vao
RMSD bond length	0.010
RMSD bond angle	0.036
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.250
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.297
Total number of observations	151791 *
Number of reflections	57201
<I/σ(I)>	6.2	2.7
Completeness [%]	98.9	99.7
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.1 *		pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	4 (%(w/v))
2	1	reservoir	sodium acetate/HCl	100 (mM)