9QY1

Endo180 (uPARAP) carbohydrate-recognition domain 2 with bound methyl fucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	45.650, 66.560, 37.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.650 - 1.900
R-factor	0.1865
Rwork	0.184
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	9435	922
<I/σ(I)>	21.08
Completeness [%]	100.0	100
Redundancy	24.7	22.4
CC(1/2)	0.990	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289.5	Drop: 5.2 mg/ml protein 5 mM CaCl2 10 mM Tris-Cl, pH 8.0 25mM NaCl 50mM alpha-Methyl-Fucoside Reservoir 26% polyethylene glycol 8K 0.1 M Tris-Cl, pH 8.0.