9FHW

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex tetraguluronic acid 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	2022-05-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	196.935, 89.034, 145.908
Unit cell angles	90.00, 120.36, 90.00

Refinement procedure

Resolution	62.950 - 2.540
R-factor	0.2073
Rwork	0.205
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.087
Data reduction software	xia2 (3.5.0)
Data scaling software	xia2 (3.5.0)
Phasing software	PHASER (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.950	2.570
High resolution limit [Å]	2.540	2.540
Number of reflections	71977	2722
<I/σ(I)>	6.56
Completeness [%]	99.7
Redundancy	7
CC(1/2)	0.982	0.260

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	18% (W/V) PEG3350, 0.2 M (NH4)2SO4 and 0.1 M citric acid pH 3.5 soaked in tetraguluronic acid in 18% (W/V) PEG3350, 0.2 M (NH4)2SO4 and 0.1 M HEPES pH 8