9I4O

Galectin-3 in Complex with Methyl 2'-fluoro-N-acetyllactosaminide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	37.091, 58.046, 63.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.930 - 0.989
Rwork	0.133
R-free	0.15800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.029
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.930	1.050
High resolution limit [Å]	0.989	0.989
Rmeas	0.062	1.161
Number of reflections	147991	23482
<I/σ(I)>	15.4	1.39
Completeness [%]	99.6	97.7
Redundancy	6.4	5.8
CC(1/2)	0.999	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	150 mM KBr, 20% PEG MME 2000