9GEH

Entamoeba histolytica Gal/GalNAc lectin heavy chain residues 808-992 in the presence of LacNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.85373
Spacegroup name	C 1 2 1
Unit cell lengths	83.232, 147.029, 85.884
Unit cell angles	90.00, 113.88, 90.00

Refinement procedure

Resolution	33.790 - 2.319
R-factor	0.2555
Rwork	0.255
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9gei
RMSD bond length	0.007
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.590	2.360
High resolution limit [Å]	2.319	2.319
Rpim	0.058	1.196
Number of reflections	40743	1924
<I/σ(I)>	8
Completeness [%]	99.7
Redundancy	7
CC(1/2)	0.996	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.05 M Sodium acetate, pH 4.0, 0.225 M Ammonium sulfate, 12 % w/v PEG 4000, 50 mM LacNAc + 20% glycerol