7B0X

Crystal structure of the ternary complex of the E. coli type 1 pilus proteins FimC, FimI and the N-terminal domain of FimD

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	2013-12-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	35.240, 104.160, 132.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.454 - 1.700
R-factor	0.2054
Rwork	0.204
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b0w
RMSD bond length	0.007
RMSD bond angle	1.032
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.454	48.454	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.081	0.019	1.258
Rmeas	0.093	0.022	1.441
Total number of observations	226688
Number of reflections	54167	710	3970
<I/σ(I)>	11.88	50.02	1.05
Completeness [%]	99.1	98.6	99.6
Redundancy	4.185	3.541	4.211
CC(1/2)	0.999	0.999	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Hepes pH 8.4, 15 % PEG 4000