3VAC
Crystal Structure of the CFA/I Enterotoxigenic E. coli adhesin CfaE mutant G168D
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 |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.066, 126.364, 78.701 |
Unit cell angles | 90.00, 100.49, 90.00 |
Refinement procedure
Resolution | 46.777 - 2.600 |
R-factor | 0.1861 |
Rwork | 0.184 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.712 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.500 |
Rmerge | 0.098 |
Number of reflections | 33308 |
Completeness [%] | 95.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 288 | 0.1 M sodium citrate, pH 5.8, 1.5 M sodium chloride, 18% PEG4000, 50 mM guanidine chloride, VAPOR DIFFUSION, HANGING DROP, temperature 288K |