3R64
Crystal structure of a NAD-dependent benzaldehyde dehydrogenase from Corynebacterium glutamicum
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 | 2011-03-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.28 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.920, 99.826, 160.975 |
| Unit cell angles | 90.00, 113.94, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.570 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bxs |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.650 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 65060 | |
| <I/σ(I)> | 12.6 | 5 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2M Li2SO4, 0.1M Bis tris pH 5.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
