9FI4

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Q173N at pH 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999
Spacegroup name	C 1 2 1
Unit cell lengths	197.153, 88.793, 146.168
Unit cell angles	90.00, 120.25, 90.00

Refinement procedure

Resolution	48.720 - 2.470
R-factor	0.2077
Rwork	0.205
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.972
Data reduction software	XDS (jan 10, 2022)
Data scaling software	XSCALE (jan 10, 2022)
Phasing software	PHASER (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	2.500
High resolution limit [Å]	2.470	2.470
Number of reflections	78192	2755
<I/σ(I)>	8.73
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.993	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	294.15	18% (W/V) PEG3350, 0.2 M (NH4)2SO4 and 0.1 M citric acid pH 3.5. Soaked with tetramannuronic acid at pH 8