5LNE

E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97631
Spacegroup name	P 21 21 2
Unit cell lengths	118.820, 51.460, 53.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.400 - 2.200
R-factor	0.18241
Rwork	0.180
R-free	0.22446
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.400	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.140	0.800
Number of reflections	17285
<I/σ(I)>	10.8	2.1
Completeness [%]	99.6	97.5
Redundancy	7	7
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Citrate pH2, 2.2M ammonium sulfate, 20% glycerol