3UN1
Crystal structure of an oxidoreductase 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 | 2011-11-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.225, 84.225, 249.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.380 - 2.450 |
| R-factor | 0.18764 |
| Rwork | 0.185 |
| R-free | 0.24062 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d3w |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.881 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.080 | 0.700 |
| Number of reflections | 38775 | |
| <I/σ(I)> | 6 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.2 | 21.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M MgCl2, 0.1M HEPES pH 7.5, 30% (v/v) PEG550MME, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
