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 |
