3EC7
Crystal Structure of Putative Dehydrogenase from Salmonella typhimurium LT2
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 | 2008-06-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.001, 98.981, 105.790 |
| Unit cell angles | 88.05, 81.78, 89.92 |
Refinement procedure
| Resolution | 47.000 - 2.150 |
| R-factor | 0.17869 |
| Rwork | 0.176 |
| R-free | 0.23066 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.612 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0053 & phenix.refine) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.130 | 0.445 |
| Number of reflections | 174149 | |
| <I/σ(I)> | 5.7 | 2.33 |
| Completeness [%] | 98.3 | 96.3 |
| Redundancy | 4.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2M K Acetate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
