9GEE

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

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)	0.95373
Spacegroup name	C 1 2 1
Unit cell lengths	83.239, 146.315, 85.328
Unit cell angles	90.00, 114.00, 90.00

Refinement procedure

Resolution	36.070 - 1.818
R-factor	0.2187
Rwork	0.217
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9gei
RMSD bond length	0.009
RMSD bond angle	1.050
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]	77.950	2.000
High resolution limit [Å]	1.818	1.818
Rpim	0.044	0.882
Number of reflections	52043	2602
<I/σ(I)>	10
Completeness [%]	93.6
Redundancy	6.9
CC(1/2)	0.996	0.430

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, 500 mM Gal + 20% glycerol