9FHY

Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex with an unsaturated mannuronic acid tetramer at pH 3.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	294.15
Detector technology	PIXEL
Collection date	2023-02-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	197.872, 88.703, 147.350
Unit cell angles	90.00, 120.39, 90.00

Refinement procedure

Resolution	58.480 - 1.760
R-factor	0.2183
Rwork	0.217
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.967
Data reduction software	xia2 (3.12.0)
Data scaling software	xia2
Phasing software	PHASER (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.480	1.780
High resolution limit [Å]	1.760	1.760
Number of reflections	213920	9274
<I/σ(I)>	6.6
Completeness [%]	98.3
Redundancy	10.6
CC(1/2)	0.996	0.288

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