3CKD
Crystal structure of the C-terminal domain of the Shigella type III effector IpaH
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 | 2006-10-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97845 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 128.928, 128.928, 282.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.210 - 2.650 |
| R-factor | 0.2309 |
| Rwork | 0.228 |
| R-free | 0.28382 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.586 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.073 | 0.479 |
| Number of reflections | 34738 | |
| <I/σ(I)> | 35.3 | 3.8 |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 8.2 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2M Ammonium sulfate, 1% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
