4IYM
Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934
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 | 2012-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 159.472, 170.910, 170.466 |
| Unit cell angles | 90.00, 106.33, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.200 |
| R-factor | 0.1673 |
| Rwork | 0.165 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e4g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.309 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.131 | 0.051 | 0.640 |
| Number of reflections | 440045 | ||
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 99.8 | 99.9 | 99.3 |
| Redundancy | 3.8 | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M MgCl2, 0.1M MES, pH 6.5, 30% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
