6AOX

F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with TF antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-04-13
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	67.411, 78.140, 105.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.770 - 2.100
R-factor	0.2267
Rwork	0.225
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.004
RMSD bond angle	0.973
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.770	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.272	1.887
Rmeas	0.284	1.970
Rpim	0.080	0.557
Number of reflections	16562	2379
<I/σ(I)>	8	1.6
Completeness [%]	99.6	99.9
Redundancy	12	12
CC(1/2)	0.994	0.393

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