8ST6

Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe

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	2017-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	46.067, 57.695, 75.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.390 - 1.450
R-factor	0.1728
Rwork	0.171
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6efc
RMSD bond length	0.006
RMSD bond angle	1.399
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	45613	1140
<I/σ(I)>	48.1
Completeness [%]	91.3
Redundancy	11
CC(1/2)	1.000	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	1 uL protein (21.6 mg/ml in 20 mM Tris-HCl, pH 7.2) and 2 uL reservoir solution over 50 uL of reservoir solution (0.1 M Succinate/Phosphate/Glycine pH 10.0 and 25% PEG 3350). Fully formed crystals were soaked in reservoir solution supple-mented with 5 mM Neu5Gc alpha2,3GalOMe