3F5Q
CRYSTAL STRUCTURE OF putative short chain dehydrogenase from Escherichia coli CFT073
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.412, 48.011, 65.232 |
| Unit cell angles | 100.29, 102.67, 105.26 |
Refinement procedure
| Resolution | 20.000 - 1.760 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21500 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.402 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
| Rmerge | 0.087 | 0.073 | 0.192 |
| Number of reflections | 41952 | ||
| <I/σ(I)> | 39.862 | ||
| Completeness [%] | 94.6 | 97.8 | 92.1 |
| Redundancy | 3.8 | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M ammonium acetate, 0.1M HEPES, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
