4X50

Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	63.320, 69.290, 95.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.688 - 2.000
R-factor	0.1759
Rwork	0.174
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uwf
RMSD bond length	0.003
RMSD bond angle	1.028
Data reduction software	MOSFLM
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1779))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.690	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.133	0.350
Number of reflections	27054
<I/σ(I)>	9.7	3.9
Completeness [%]	92.7	99.6
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	19% PEG 8000, 0.2 M (NH4)2SO4, 0.1 M HEPES pH 7.0.