6HUR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97242
Spacegroup name	H 3
Unit cell lengths	134.000, 134.000, 59.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.610 - 1.297
Rwork	0.151
R-free	0.17060
Structure solution method	SAD
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180126)
Data scaling software	XSCALE (VERSION Jan 26, 2018 BUILT=20180126)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.610	1.343
High resolution limit [Å]	1.297	1.297
Rmerge	0.065
Rmeas	0.075
Rpim	0.036
Number of reflections	98453	9625
<I/σ(I)>	10.43	1.03
Completeness [%]	99.4	97.39
Redundancy	4.2	4
CC(1/2)	0.999	0.475

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