3U4J
Crystal structure of NAD-dependent aldehyde dehydrogenase from Sinorhizobium meliloti
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 | 2011-10-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.108, 176.660, 83.662 |
| Unit cell angles | 90.00, 98.49, 90.00 |
Refinement procedure
| Resolution | 47.980 - 2.000 |
| R-factor | 0.18885 |
| Rwork | 0.187 |
| R-free | 0.22376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o9j |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.390 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.920 | 0.379 |
| Number of reflections | 152232 | |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG400; HEPES pH 7.5; CaCl2; Ethyl Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 272K, temperature 293K |
