2RDB
X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase I100W Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 101 |
| Detector technology | CCD |
| Collection date | 2006-04-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 182.420, 182.420, 67.962 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.840 - 2.100 |
| R-factor | 0.22057 |
| Rwork | 0.217 |
| R-free | 0.28370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2inc |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.761 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.059 | 0.307 |
| Number of reflections | 73939 | |
| <I/σ(I)> | 19 | 19.4 |
| Completeness [%] | 85.0 | 83.3 |
| Redundancy | 6.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM HEPES pH 7.5, 2.1-2.5 M Ammonium Sulfate, 2-4% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
