3E9N
Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 238.107, 62.260, 127.295 |
| Unit cell angles | 90.00, 99.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.231 |
| Rwork | 0.229 |
| R-free | 0.27600 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.619 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.540 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.096 | 0.397 |
| Total number of observations | 55025 | |
| Number of reflections | 72461 | |
| <I/σ(I)> | 13.3 | 3.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 294 | 100mM MES pH 6.0, 27% PEG MME 5K, 200mM ammonium sulfate, Vapor diffusion, temperature 294K |
