3V4C
Crystal structure of a semialdehyde dehydrogenase 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 | 2011-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 187.197, 46.079, 117.404 |
| Unit cell angles | 90.00, 104.76, 90.00 |
Refinement procedure
| Resolution | 46.290 - 1.910 |
| R-factor | 0.17406 |
| Rwork | 0.171 |
| R-free | 0.22522 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eyy |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.001 |
| 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 | 1.980 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.038 | 0.110 |
| Number of reflections | 75865 | |
| <I/σ(I)> | 13.5 | 9 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 6.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M Sodium acetate trihydrate, 0.1M Tris hydrochloride, 30% PEG 4K, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
