3V2G
Crystal structure of a dehydrogenase/reductase from Sinorhizobium meliloti 1021
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 | 2011-12-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 138.088, 138.088, 77.207 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.860 - 2.300 |
| R-factor | 0.16887 |
| Rwork | 0.167 |
| R-free | 0.20471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u5t |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.186 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 19462 | |
| <I/σ(I)> | 3.9 | 3 |
| Completeness [%] | 98.4 | 100 |
| Redundancy | 51.5 | 51.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M Bis-tris, 2M ammonium Sulfate, 0.1M Lithium Chloride, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
