8OT8

Alditol oxidase from Actinomycetota bacterium in complex with D-xylulose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999990
Spacegroup name	P 21 21 21
Unit cell lengths	56.442, 109.911, 296.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.550 - 2.400
R-factor	0.24838
Rwork	0.246
R-free	0.28862
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.550	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.168	2.581
Rmeas	0.183	2.798
Rpim	0.071	1.071
Total number of observations		30175
Number of reflections	73369	4513
<I/σ(I)>	7.2	0.9
Completeness [%]	99.8
Redundancy	6.7	6.7
CC(1/2)	0.997	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12 M Monosaccharides 0.1 M Buffer System 2 7.5 30 % v/v Precipitant Mix 1