3RHE
The crystal structure of NAD-dependent benzaldehyde dehydrogenase from Legionella pneumophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 43.536, 77.707, 83.024 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.512 - 2.053 |
| R-factor | 0.2191 |
| Rwork | 0.218 |
| R-free | 0.24120 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.132 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.090 | 0.090 |
| Number of reflections | 9137 | |
| <I/σ(I)> | 10.3 | 9.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.6 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 291 | 0.1 Citric acid pH 3.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
