3IPJ
The crystal structure of one domain of the PTS system, IIabc component from Clostridium difficile
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 | 2009-02-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.635, 34.734, 72.195 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 37.635 - 1.200 |
| R-factor | 0.1352 |
| Rwork | 0.133 |
| R-free | 0.16990 |
| Structure solution method | SAD |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.909 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.635 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.065 | 0.304 |
| Number of reflections | 52533 | |
| <I/σ(I)> | 19.8 | 2.17 |
| Completeness [%] | 89.5 | 45.5 |
| Redundancy | 4.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.005M Cobalt Chloride, 0.05M Nickel Chloride, 0.05M Cadmium Chloride, 0.05M Magnesium Chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
