4MOI

Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.946496
Spacegroup name	P 41 21 2
Unit cell lengths	101.504, 101.504, 238.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.880 - 1.900
R-factor	0.197
Rwork	0.196
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.730	2.000
High resolution limit [Å]	1.900	1.900
Number of reflections	98867
<I/σ(I)>	10.8	2
Completeness [%]	100.0	100
Redundancy	10.9	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	0.1 M MES, 50 mM MgCl2, 10% (w/v) monomethylether PEG 2000, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K