31NV

Crystal structure of the complex of galectin-8N-TDG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	C 1 2 1
Unit cell lengths	59.030, 39.194, 55.734
Unit cell angles	90.00, 107.48, 90.00

Refinement procedure

Resolution	29.890 - 1.710
R-factor	0.2432
Rwork	0.241
R-free	0.29260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (2.1_6048)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.214	1.306
Number of reflections	12509	573
<I/σ(I)>	6	2.2
Completeness [%]	94.2	84.1
Redundancy	6.8	6.5
CC(1/2)	0.973	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	Galecin-8N 10 mg/mL in PBS (pH 7.4) was mixed 1:1 with reservoir solution containing 0.1 M Tris/sodium citrate (pH 5.6), 20% (v/v) 2- propanol, 20 % (w/v) PEG4000 and 1 mM TDG.