3E9Q
Crystal Structure of the Short Chain Dehydrogenase from Shigella flexneri
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 | 2008-08-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.080, 133.200, 48.232 |
| Unit cell angles | 90.00, 104.03, 90.00 |
Refinement procedure
| Resolution | 38.800 - 1.700 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.19300 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.625 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.900 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.105 | 0.671 |
| Number of reflections | 53859 | |
| <I/σ(I)> | 7.8 | 2.4 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M Na Hepes pH 7.5, 1.5 ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
