2BF2
Crystal structure of native toluene-4-monooxygenase catalytic effector protein, T4moD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 86.671, 86.671, 144.325 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.000 - 2.100 |
| R-factor | 0.248 |
| Rwork | 0.244 |
| R-free | 0.28900 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.585 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.070 | 0.290 |
| Number of reflections | 19009 | |
| <I/σ(I)> | 6 | 2.5 |
| Completeness [%] | 96.5 | 78.2 |
| Redundancy | 1.8 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | PROTEIN CRYSTALLIZED FROM 975MM SODIUM/POTASSIUM PHOSPHATE PH 4.7, 400 MM NACL AND 50 MM SUCCINATE PH 5.5 |
