5E68
High resolution crystal structure of LuxS - Quorum sensor molecular complex from Salmonella typhi at 1.58 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.345, 66.427, 54.310 |
| Unit cell angles | 90.00, 106.17, 90.00 |
Refinement procedure
| Resolution | 30.710 - 1.580 |
| R-factor | 0.16228 |
| Rwork | 0.160 |
| R-free | 0.19645 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1joe |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.181 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 59402 | |
| <I/σ(I)> | 2.31 | 2.31 |
| Completeness [%] | 98.4 | 98.5 |
| Redundancy | 7.9 | 2.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Sodium formate, Bis-trispropane, PEG3350 |
