4DAL
Crystal structure of Putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021
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 | 2011-11-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.463, 150.745, 159.569 |
| Unit cell angles | 90.00, 102.13, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.300 |
| R-factor | 0.1866 |
| Rwork | 0.184 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3FG0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.370 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.088 | 0.033 | |
| Number of reflections | 174716 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 94.9 | 97.7 | 92.4 |
| Redundancy | 2.2 | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M ammonium tartrate dibasic, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
