6AS8

F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-04-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	50.957, 51.519, 117.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.183 - 2.101
R-factor	0.2028
Rwork	0.201
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aow
RMSD bond length	0.003
RMSD bond angle	0.811
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rpim	0.041	0.260
Number of reflections	16455	412
<I/σ(I)>	16.08	1.53
Completeness [%]	87.7	44.2
Redundancy	10.7	2.5
CC(1/2)		0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.7 M LiSO4, 2% PEG8000