6AOW

Crystal structure of lectin domain of F9 pilus adhesin FmlH from E. coli UTI89

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	2016-11-12
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	65.505, 78.340, 58.496
Unit cell angles	90.00, 96.99, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1969
Rwork	0.195
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mcy
RMSD bond length	0.006
RMSD bond angle	1.087
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.030	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.093	1.390
Rmeas	0.109	1.648
Rpim	0.057	0.876
Number of reflections	38073	1891
<I/σ(I)>	8.7	0.9
Completeness [%]	98.1	97.5
Redundancy	3.5	3.4
CC(1/2)	0.997	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M ammonium sulfate, 0.1M NaCl, 0.1 M MES pH 5.6, 28% PEG 3350