3RN9
Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/L272E Double Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-30 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 182.409, 182.409, 67.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.602 - 2.800 |
| R-factor | 0.1644 |
| Rwork | 0.161 |
| R-free | 0.22978 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2inc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.619 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.602 | 2.880 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.253 | |
| Number of reflections | 30252 | |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 8.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100 mM HEPES, 2.1 mM ammonium sulfate, 2% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
