9FI6

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Y91F+Y298F in complex with 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	2023-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	197.722, 89.581, 146.852
Unit cell angles	90.00, 120.39, 90.00

Refinement procedure

Resolution	97.050 - 2.180
R-factor	0.2261
Rwork	0.224
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	xia2 (3.12)
Data scaling software	xia2 (3.12)
Phasing software	PHASER (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.050	2.220
High resolution limit [Å]	2.180	2.180
Number of reflections	115025	5709
<I/σ(I)>	5.7
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.972	0.273

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 pH 3.5