9UG4

Crystal structure of human galectin-3 in complex with N-galactoside 5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	74.191, 74.191, 51.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.100 - 1.050
R-factor	0.17
Rwork	0.170
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.722
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.180	1.070
High resolution limit [Å]	1.050	1.050
Rmerge	0.070	0.440
Number of reflections	64722	3166
<I/σ(I)>	17.3	5.4
Completeness [%]	99.8
Redundancy	13.3
CC(1/2)	0.998	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	288	PEG5000, Ammonium Sulfate