4E6M
Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
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) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 113.128, 87.137, 200.586 |
| Unit cell angles | 90.00, 91.39, 90.00 |
Refinement procedure
| Resolution | 19.960 - 1.800 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gl5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.356 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.063 | 0.027 | 0.944 |
| Number of reflections | 332081 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 92.4 | 98.3 | 91.6 |
| Redundancy | 2.7 | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M hepes, pH 7.5, 70% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
