7BHD

FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	91.210, 91.210, 79.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.990 - 1.400
R-factor	0.1716
Rwork	0.171
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vco
RMSD bond length	0.024
RMSD bond angle	2.045
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.990	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.075	4.192
Rmeas	0.077	4.331
Number of reflections	75457	11867
<I/σ(I)>	17.01	0.42
Completeness [%]	99.5	97.9
Redundancy	19.15	15.57
CC(1/2)	1.000	0.184

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	1,1M Lithium sulfate, 0,1M Tris-HCl pH=9, 0,01M Nickel Chloride