9I4N

Galectin-3 in Complex with Methyl 6-fluoro-N-acetyllactosaminide

This is a non-PDB format compatible entry.

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	37.067, 58.026, 63.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.914 - 1.069
Rwork	0.209
R-free	0.23230
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.918
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.930	1.130
High resolution limit [Å]	1.069	1.069
Rmeas	0.089	1.695
Number of reflections	116464	18669
<I/σ(I)>	11.85	1.06
Completeness [%]	99.2	98.1
Redundancy	6.56	6.09
CC(1/2)	0.999	0.508

Crystallization Conditions

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