4MOR

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

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)	0.946495
Spacegroup name	P 1 21 1
Unit cell lengths	100.242, 102.469, 137.840
Unit cell angles	90.00, 91.09, 90.00

Refinement procedure

Resolution	49.330 - 1.500
R-factor	0.156
Rwork	0.156
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.283
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]	49.330	1.600
High resolution limit [Å]	1.500	1.500
Number of reflections	442699
<I/σ(I)>	11.9	1.6
Completeness [%]	99.7	99.7
Redundancy	7.4	7.3

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