3BS0
Crystal structure of the P. putida toluene transporter TodX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.098, 41.415, 141.064 |
| Unit cell angles | 98.39, 90.01, 90.06 |
Refinement procedure
| Resolution | 11.980 - 2.600 |
| R-factor | 0.253 |
| Rwork | 0.253 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3brz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.520 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.074 | 0.274 |
| Number of reflections | 26096 | |
| <I/σ(I)> | 18.3 | 3 |
| Completeness [%] | 100.0 | 71.2 |
| Redundancy | 2.8 | 2.5 |
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 |
