3FXR
Crystal structure of TsaR in complex with sulfate
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 | 2007-06-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9326 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.110, 51.830, 107.990 |
| Unit cell angles | 90.00, 110.52, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.500 |
| R-factor | 0.207 |
| Rwork | 0.204 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fxq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 24481 | |
| <I/σ(I)> | 15.92 | 4.2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 4.6 | 298 | 0.2M Ammonium sulfate, 25% w/v PEG 4000, 0.1M Na acetate pH 4.6, microbatch under oil, temperature 298K |
