4O2I
The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97931 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.937, 89.356, 205.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.710 - 2.200 |
R-factor | 0.1715 |
Rwork | 0.168 |
R-free | 0.23690 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.963 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 102.710 | 50.000 | 2.220 |
High resolution limit [Å] | 2.200 | 7.520 | 2.200 |
Rmerge | 0.099 | 0.059 | |
Number of reflections | 33150 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 95.1 | 96.6 | 83.9 |
Redundancy | 13.2 | 12.7 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 297 | 0.1 M Sodium Cacodylate, 0.2 M Calcium acetate, 19% PEG8000, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 297K |