4DWH

Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution)

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	2012-02-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.99986
Spacegroup name	C 1 2 1
Unit cell lengths	122.370, 48.810, 113.480
Unit cell angles	90.00, 98.90, 90.00

Refinement procedure

Resolution	45.260 - 2.500
R-factor	0.2348
Rwork	0.233
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sqb
RMSD bond length	0.004
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.260	45.260	2.800
High resolution limit [Å]	2.500	25.000	2.500
Rmerge	0.203	0.052	0.856
Number of reflections	23307
<I/σ(I)>	12.05	37.66	3.48
Completeness [%]	99.9	83.9	100
Redundancy	13.4		13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	40% (v/v) PEG 400 0.1 M phosphate/citrate pH 4.2 , VAPOR DIFFUSION, SITTING DROP, temperature 293K