3ROS
Crystal structure of NAD-dependent aldehyde dehydrogenase from Lactobacillus acidophilus
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 | 2010-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.000, 45.730, 96.378 |
| Unit cell angles | 90.00, 121.48, 90.00 |
Refinement procedure
| Resolution | 42.410 - 1.880 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.22200 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.082 | 0.253 |
| Number of reflections | 40745 | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.8 | 293 | 25% PEG1500, 0.1M Citric Acid, 5mM Hexammine Cobalt(III)Chloride, pH 3.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
