6MAQ

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

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	2018-05-03
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	57.191, 57.191, 120.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.490 - 1.310
R-factor	0.1672
Rwork	0.167
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.009
RMSD bond angle	1.427
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]	41.490	1.360
High resolution limit [Å]	1.310	1.310
Rmerge	0.074	0.886
Rmeas	0.077	0.922
Number of reflections	49124	4810
<I/σ(I)>	25.48	2.95
Completeness [%]	99.9	99.98
Redundancy	13.9	13.9
CC(1/2)	1.000	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	0.1 M Tris 8.0, 0.8 M AmSO4, 10% DMSO