1W1K

STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE: Ile238Thr Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-15
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	129.896, 129.896, 133.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.550
R-factor	0.21
Rwork	0.207
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vao
RMSD bond length	0.015
RMSD bond angle	1.523
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.550
Rmerge	0.101
Number of reflections	33857
Completeness [%]	98.9
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		FROM 6% PEG4000, 100 MM ACETATE BUFFER PH 4.6