9I4M

Galectin-1 in Complex with Methyl 3'-fluoro-N-acetyllactosaminide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	44.902, 58.167, 111.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.700 - 1.794
Rwork	0.257
R-free	0.30710
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	Servalcat (0.4.126)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.700	1.900
High resolution limit [Å]	1.790	1.790
Rmeas	0.134	2.293
Number of reflections	27650	4229
<I/σ(I)>	8.61	0.71
Completeness [%]	98.3	95.2
Redundancy	5.69	5.89
CC(1/2)	0.998	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1M Tris-Cl, pH8, 0.2M lithium sulfate, 30% PEG 3350