6X3Q

Hsa Siglec and Unique domains in complex with 3'sialyl-N-acetyllactosamine trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	45.743, 57.738, 75.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.420 - 2.150
R-factor	0.2068
Rwork	0.206
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6efc
RMSD bond length	0.024
RMSD bond angle	2.353
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rpim	0.055	0.283
Number of reflections	10881	539
<I/σ(I)>	12.1
Completeness [%]	99.6
Redundancy	4.6
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	21.6 mg/mL protein in 20 mM Tris-HCl, pH 7.2 sitting drop vapor diffusion drops contain 1uL protein solution and 2uL reservoir solution. Reservoir solution: 0.1 M Succinate/Phosphate/Glycine pH 10.0 and 25% PEG 3350. Crystals were soaked with 5mM ligand for 20 hours, no cryoprotection was used beyond the reservoir buffer