9EOB

Engineered GH181 sialidase from Akkermansia muciniphila

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	2024-02-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	74.670, 88.189, 99.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.020 - 1.770
Rwork	0.155
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.519
Data reduction software	autoPROC
Data scaling software	TRUNCATE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.020	1.800
High resolution limit [Å]	1.770	1.770
Number of reflections	64414	6073
<I/σ(I)>	11.7
Completeness [%]	99.0
Redundancy	9.6
CC(1/2)	0.998	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	10% PEG 8000 W/V, 9% Ethylene glycol (v/v), 0.1M HEPES pH 7.5