4DA9
Crystal structure of putative Short-chain dehydrogenase/reductase 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 | P 21 21 21 |
| Unit cell lengths | 71.333, 126.589, 127.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.500 |
| R-factor | 0.1797 |
| Rwork | 0.177 |
| R-free | 0.23120 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.074 | 0.033 | |
| Number of reflections | 77562 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 99.9 | 99 | 100 |
| Redundancy | 4.2 | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Ammonium sulfate, 22% PEG 4000, 0.1M sodium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
