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 |