3DHI
Crystal Structure of Reduced Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 91 |
| Detector technology | CCD |
| Collection date | 2008-02-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 97.661, 115.295, 180.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.850 - 1.680 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20200 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.322 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 3.620 | 1.680 |
| Rmerge | 0.059 | 0.032 | 0.309 |
| Number of reflections | 115518 | ||
| Completeness [%] | 99.8 | 99.3 | 99.3 |
| Redundancy | 6.6 | 6.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | AMMONIUM ACETATE, PEG 3350, BIS-TRIS, reduced with dithionite in anaerobic conditions, pH 6.5, vapor diffusion, temperature 291K |
