4LOV

Crystal structure of FimH in complex with Heptylmannoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	39.900, 41.820, 97.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.430 - 1.500
R-factor	0.1625
Rwork	0.161
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	38.444	1.673
High resolution limit [Å]	1.499	3.200	1.499
Rmerge	0.090
Number of reflections	24894
Completeness [%]	100.0	100	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1