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 |