3EDM
Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 114.501, 131.260, 67.952 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.25900 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.543 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.783 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.099 | 0.472 |
| Total number of observations | 54360 | |
| Number of reflections | 46266 | |
| <I/σ(I)> | 15.3 | 4.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 22% PEG 3350, 200mM sodium formate, pH 7.0, Vapor diffusion, temperature 294K |
