3FXU
Crystal structure of TsaR in complex with its effector p-toluenesulfonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2007-11-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9326 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.220, 52.110, 109.280 |
| Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
| Resolution | 19.750 - 1.950 |
| R-factor | 0.225 |
| Rwork | 0.223 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fxq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.275 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.750 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.414 |
| Number of reflections | 55862 | |
| <I/σ(I)> | 17.95 | 2.62 |
| Completeness [%] | 99.4 | 97 |
| Redundancy | 0.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 4.6 | 298 | 2M Na formate, 0.1M Na acetate pH 4.6. Soaking in 250mM p-toluenesulfonate, microbatch under oil, temperature 298K |
