3UOG
Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021
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 | 2011-11-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.222, 102.396, 79.018 |
| Unit cell angles | 90.00, 118.81, 90.00 |
Refinement procedure
| Resolution | 19.730 - 2.200 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.24890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eih |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.524 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.088 | 0.043 | 0.799 |
| Number of reflections | 91519 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 88.0 | 99 | 58.9 |
| Redundancy | 2.2 | 2.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M lithium sulfate, 0.1 M Tris-HCl, 30% PEG 4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
