6ARO

F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with 8-hydroxyquinoline beta-galactoside

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 2 21 21
Unit cell lengths	50.618, 51.305, 116.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.938 - 1.200
R-factor	0.1769
Rwork	0.176
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.013
RMSD bond angle	1.537
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]	58.130	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.114	0.869
Rmeas	0.124	1.085
Rpim	0.048	0.637
Number of reflections	101126	3048
<I/σ(I)>	9.2	1
Completeness [%]	93.6	58.5
Redundancy	6	2.6
CC(1/2)	0.992	0.463

Crystallization Conditions

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