4W8I
Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.783, 118.252, 57.794 |
| Unit cell angles | 90.00, 114.38, 90.00 |
Refinement procedure
| Resolution | 19.709 - 2.850 |
| R-factor | 0.2654 |
| Rwork | 0.262 |
| R-free | 0.31620 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.325 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX (phenix.autosol) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.348 | |
| Number of reflections | 25700 | |
| <I/σ(I)> | 20.56 | 3.04 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG3350, 0.1 M sodium chloride, 0.1 M potassium chloride, 0.1 M HEPES pH 7.5 |
