1T0S
Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase with 4-bromophenol bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 183.242, 183.242, 67.671 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.470 - 2.200 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.099 | 0.352 |
| Number of reflections | 65354 | |
| <I/σ(I)> | 21.4 | 4.1 |
| Completeness [%] | 98.4 | 86.4 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 400, HEPES, ammonium sulfate, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
