3UXY
The crystal structure of short chain dehydrogenase from Rhodobacter sphaeroides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.526, 87.999, 93.463 |
| Unit cell angles | 90.00, 111.68, 90.00 |
Refinement procedure
| Resolution | 43.427 - 2.097 |
| R-factor | 0.1721 |
| Rwork | 0.170 |
| R-free | 0.21240 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.173 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.057 | 0.090 |
| Number of reflections | 58020 | |
| <I/σ(I)> | 14.1 | 12.1 |
| Completeness [%] | 97.3 | 87.9 |
| Redundancy | 4.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.2 M sodium chloride, 0.1 M tris pH 5.5, 25% w/v PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
