3O1I
Crystal Structure of the TorS sensor domain - TorT complex in the absence of ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-06 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.98009 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 115.710, 364.520, 80.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 2.800 |
| R-factor | 0.248 |
| Rwork | 0.248 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Isopropanol bound structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.141 | 0.455 |
| Number of reflections | 42602 | |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.9 | 9.8 |
| Redundancy | 6.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277.15 | 1-4% PEG 400, 1.0-1.7M AmSO4, 100mM Tris pH8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
