3BRZ
Crystal structure of the Pseudomonas putida toluene transporter TodX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9785 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 78.302, 123.344, 167.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 3.200 |
| R-factor | 0.256 |
| Rwork | 0.256 |
| R-free | 0.30000 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.096 | 0.894 |
| Number of reflections | 15800 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.5 | 97.1 |
| Redundancy | 11.3 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 25% PEG 4000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
