4E4G
Crystal structure of putative Methylmalonate-semialdehyde 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 | 2012-02-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.442, 171.285, 159.690 |
| Unit cell angles | 90.00, 124.03, 90.00 |
Refinement procedure
| Resolution | 19.970 - 2.900 |
| R-factor | 0.192 |
| Rwork | 0.188 |
| R-free | 0.26920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t90 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.499 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.136 | 0.066 | 0.608 |
| Number of reflections | 100867 | ||
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 98.9 | 96.9 | 99.2 |
| Redundancy | 5.3 | 5.5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M MgCl2, 0.1M MES:NaOH, pH 6.5, 30% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
