5V2W
Crystal structure of a LuxS from salmonella typhi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.330, 65.453, 54.242 |
| Unit cell angles | 90.00, 106.55, 90.00 |
Refinement procedure
| Resolution | 52.000 - 2.300 |
| R-factor | 0.19214 |
| Rwork | 0.189 |
| R-free | 0.25224 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e68 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.454 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 1.012 | |
| Number of reflections | 193762 | |
| <I/σ(I)> | 2 | 2 |
| Completeness [%] | 98.5 | 90.8 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Sodium Iodide, Bis-Trispropane, PEG3350 |
