6MAW

F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[S-methyl-6-(trifluoromethyl)-[1,1'-biphenyl]-3'-yl]oxy}oxan-3-yl]acetamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-03-29
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	39.445, 110.212, 90.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.138 - 1.750
R-factor	0.1616
Rwork	0.161
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.007
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.100	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.092	0.398
Rmeas	0.099	0.429
Number of reflections	20289	2088
<I/σ(I)>	17.65	5.07
Completeness [%]	99.9	100
Redundancy	7.1	7.3
CC(1/2)	0.998	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	0.7 M LiSO4, 20% PEG 8000, 10% DMSO