7QVA

Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	C 2 2 21
Unit cell lengths	76.650, 78.858, 147.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.670 - 2.600
R-factor	0.2137
Rwork	0.214
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AsP2OX WT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.700	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	14110	2229
<I/σ(I)>	6.99
Completeness [%]	99.5
Redundancy	6.2
CC(1/2)	0.985	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	2 M ammonium sulfate and 0.1 M Tris-HCl pH 8.5