6ARN

F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-methoxyphenyl beta-galactoside (OMPG)

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	2016-08-12
Detector	RDI CMOS_8M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 2
Unit cell lengths	51.263, 116.120, 50.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.896 - 1.250
R-factor	0.209
Rwork	0.208
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.004
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.260	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.065	1.917
Rmeas	0.071	2.118
Rpim	0.027	1.021
Number of reflections	83215	7590
<I/σ(I)>	15	0.7
Completeness [%]	99.2	91.5
Redundancy	6.5	4.2
CC(1/2)	0.999	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.2 M ammonium sulfate, 0.1 M NaCl, 0.1 M MES pH 5.6, 32% PEG 3350