5MXU

Structure of the Y503F mutant of vanillyl alcohol oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999
Spacegroup name	I 4
Unit cell lengths	138.012, 138.012, 132.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.940 - 2.800
R-factor	0.17884
Rwork	0.175
R-free	0.24886
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vao
RMSD bond length	0.011
RMSD bond angle	1.547
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.940	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.113	0.705
Rpim	0.087	0.545
Number of reflections	27846	4226
<I/σ(I)>	7	1.3
Completeness [%]	91.8	94.3
Redundancy	2.4	2.4
CC(1/2)	0.988	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG4000, sodium acetate