4XOE

Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97928
Spacegroup name	P 21 3
Unit cell lengths	128.360, 128.360, 128.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.404 - 2.400
R-factor	0.1522
Rwork	0.151
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mcy 1qun
RMSD bond length	0.004
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1779))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.404	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.207	2.024
Number of reflections	27814
<I/σ(I)>	18.3	1.6
Completeness [%]	99.9	99.9
Redundancy	20	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	30 % (v/v) 2-Methyl-2,4-pentanediol (MPD), 0.1 M sodium cacodylate, 0.2 M magnesium acetate pH 6.5