4HN3
The crystal structure of a sex pheromone precursor (lmo1757) from Listeria monocytogenes EGD-e
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 149.085, 99.318, 104.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.013 - 2.047 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22070 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.100 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.076 | 0.622 |
| Number of reflections | 97717 | |
| <I/σ(I)> | 34.2 | 3.1 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | 0.1M Na2HPO4:Citric Acid, 40%(w/v) PEG300, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
