6HUS

2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 3-fucosyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873130
Spacegroup name	H 3
Unit cell lengths	134.200, 134.200, 59.990
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.740 - 1.409
Rwork	0.142
R-free	0.16540
Structure solution method	SAD
Data reduction software	XDS (VERSION Jan 26)
Data scaling software	XSCALE (VERSION Jan 26)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.740	1.460
High resolution limit [Å]	1.409	1.409
Rmerge	0.107	0.576
Rmeas	0.118	0.641
Rpim	0.050	0.278
Number of reflections	77253	7253
<I/σ(I)>	8.72	1.93
Completeness [%]	99.3	92.94
Redundancy	5.5	5.1
CC(1/2)	0.995	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Drop ratio 1:1 protein: 100 mg/mL in 10 mM MES pH 6.5 and 150 mM NaCl Mother liqour: 0.1 M MES pH 6.5, 25 % PEG-500MME and 10 mM ZnSO4