6MAP

F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 5-nitro-2'-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[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	2018-06-07
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	57.118, 57.118, 121.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.320 - 1.080
R-factor	0.2007
Rwork	0.200
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.006
RMSD bond angle	1.298
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]	38.320	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.088	0.526
Rmeas	0.192	0.545
Number of reflections	41077	4031
<I/σ(I)>	23.2	5.18
Completeness [%]	99.9	100
Redundancy	14.2	14.2
CC(1/2)	0.999	0.950

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% DSMO