9FI1

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant H297N at pH 3.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033202
Spacegroup name	C 1 2 1
Unit cell lengths	197.443, 89.092, 146.661
Unit cell angles	90.00, 120.55, 90.00

Refinement procedure

Resolution	48.480 - 2.360
R-factor	0.1815
Rwork	0.179
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.900
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]	48.480	2.390
High resolution limit [Å]	2.360	2.360
Number of reflections	87904	2917
<I/σ(I)>	8.05
Completeness [%]	97.4
Redundancy	2.9
CC(1/2)	0.995	0.455

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