3GUY
Crystal structure of a short-chain dehydrogenase/reductase from Vibrio parahaemolyticus
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 | 2009-02-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.814, 71.315, 93.075 |
| Unit cell angles | 72.38, 89.39, 74.30 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.24900 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.557 |
| 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] | 88.440 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.089 | 0.324 |
| Total number of observations | 43304 | |
| Number of reflections | 123644 | |
| <I/σ(I)> | 7.3 | 2.1 |
| Completeness [%] | 96.9 | 95.5 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.4 | 294 | 100mM Bis-Tris pH 5.4, 15% PEG 3350, 100mM magnesium chloride, vapor diffusion, temperature 294K |
