9GF1

Cysteine-less human Galectin-3 C173S mutant carbohydrate recognition domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-12
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.961107
Spacegroup name	P 21 21 21
Unit cell lengths	37.020, 58.047, 63.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.746 - 1.500
Rwork	0.161
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.763
Data reduction software	XDS (20220820)
Data scaling software	Aimless (0.7.13)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.050	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.110
Rmeas	0.120
Rpim	0.045
Number of reflections	22417	1092
<I/σ(I)>	9.5
Completeness [%]	99.8	99.9
Redundancy	7	7.1
CC(1/2)	0.998	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	22% (w/v) sodium polyacrylamide 5100, 0.02M magnesium chloride, 0.1M HEPES pH 7.5