9H0P

Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with H1 trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-14
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.98400
Spacegroup name	P 32 2 1
Unit cell lengths	95.906, 95.906, 114.768
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.290 - 2.700
R-factor	0.174
Rwork	0.171
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.595
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.290	2.870
High resolution limit [Å]	2.700	2.700
Rmerge	0.528	1.000
Rmeas	0.541	1.000
Rpim	0.118	0.658
Number of reflections	27544	4517
<I/σ(I)>	5.85	1.07
Completeness [%]	99.9	99.89
Redundancy	20
CC(1/2)	0.990	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.2M NaCl, 0.1 M Tris pH 7.0, 30% PEG3000 + TCEP