3O1H
Crystal Structure of the TorS sensor domain - TorT complex in the presence of TMAO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 1-BM-C |
| Synchrotron site | APS |
| Beamline | 1-BM-C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-08-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90020 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 128.059, 306.984, 78.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| Rwork | 0.218 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Isopropanol bound structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.105 | 0.294 |
| Number of reflections | 27210 | |
| <I/σ(I)> | 11.2 | 2469 |
| Completeness [%] | 95.9 | 88 |
| Redundancy | 5.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.4-0.8M CaAcetate, 4-7% Butanol, 0.1M MES pH6.0-6.5, 2mM TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
