6AOY

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-11-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	66.220, 78.320, 58.520
Unit cell angles	90.00, 97.45, 90.00

Refinement procedure

Resolution	32.830 - 1.800
R-factor	0.1869
Rwork	0.185
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.003
RMSD bond angle	0.870
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]	40.030	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.081	0.678
Rmeas	0.087	0.754
Rpim	0.032	0.322
Number of reflections	27380	3937
<I/σ(I)>	15.6	2.8
Completeness [%]	99.6	98.5
Redundancy	6.9	5.1
CC(1/2)	0.999	0.788

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