7B0W

Crystal structure of the E. coli type 1 pilus assembly inhibitor FimI bound to FimC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	166.220, 166.220, 51.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.440 - 1.750
R-factor	0.171
Rwork	0.171
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dwh
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.440	48.440	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.073	0.021	1.087
Rmeas	0.086	0.025	1.278
Total number of observations	279213
Number of reflections	81377	932	6007
<I/σ(I)>	11.64	49.14	1.26
Completeness [%]	99.1	94.1	99.5
Redundancy	3.431	3.568	3.525
CC(1/2)	0.998	0.999	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	4.5 M sodium formate, 0.1 M sodium cacodylate pH 6.5