3F85

Structure of fusion complex of homo trimeric major pilin subunits CfaB of CFA/I fimbirae from ETEC E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	127.406, 44.982, 97.880
Unit cell angles	90.00, 125.35, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.23578
Rwork	0.233
R-free	0.28301
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.420
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100	2.100
Number of reflections	25005

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	3.5		the CfaBBB protein (10 mg/ml in 20 mM Tri-HCl, pH 7.5, 100 mM NaCl) is crystallized by mixing in 1:1 ratio with 22% PEG 4000, 100 mM ammonium sulfate, 100 mM sodium citrate at pH 3.5, 1% ethylene glycol, 2% PEG 400, 1% iso-propanol, 10 mM MgCl2, 0.3% 1,2,3 heptanetriol; VAPOR DIFFUSION