9FHX

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex tetramannuronic acid at pH 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.873128
Spacegroup name	C 1 2 1
Unit cell lengths	197.327, 89.355, 146.509
Unit cell angles	90.00, 120.56, 90.00

Refinement procedure

Resolution	60.840 - 2.120
R-factor	0.1786
Rwork	0.176
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
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]	79.080	5.750
High resolution limit [Å]	2.110	2.120
Number of reflections	124537	6169
<I/σ(I)>	6.7
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.996	0.677

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 HEPES pH 8