6GU0

Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P213

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 3
Unit cell lengths	128.630, 128.630, 128.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.315 - 2.501
R-factor	0.1738
Rwork	0.173
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xoe
RMSD bond length	0.003
RMSD bond angle	0.695
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.960	2.650
High resolution limit [Å]	2.500	2.500
Rmeas	0.197	2.490
Number of reflections	24813	3918
<I/σ(I)>	17.9	1.5
Completeness [%]	99.9	99.9
Redundancy	20	20.3
CC(1/2)	0.998	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M (NH4)2SO4, 0.1 M sodium cacodylate pH 6.5, 30% MPD