3RNE
Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/I276E 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 | 182.984, 182.984, 67.976 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.746 - 2.500 |
| R-factor | 0.1846 |
| Rwork | 0.182 |
| R-free | 0.23401 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2inc |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.835 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.746 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 43135 | |
| <I/σ(I)> | 26.9 | 5.2 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 6.8 | 4.2 |
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 |
