9FI5

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Y298F in complex tetramannuronic acid 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	2022-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97242
Spacegroup name	C 1 2 1
Unit cell lengths	196.678, 88.869, 145.089
Unit cell angles	90.00, 120.18, 90.00

Refinement procedure

Resolution	48.360 - 2.370
R-factor	0.1771
Rwork	0.175
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.984
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]	48.360	2.400
High resolution limit [Å]	2.370	2.370
Number of reflections	87072	2953
<I/σ(I)>	7.75
Completeness [%]	98.9
Redundancy	3.2
CC(1/2)	0.992	0.494

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 in tetramannuronic acid in 18% (W/V) PEG3350, 0.2 M (NH4)2SO4 and 0.1 M citric acid pH 3.5