4G5E
2,4,6-Trichlorophenol 4-monooxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.072, 180.050, 110.197 |
| Unit cell angles | 90.00, 97.87, 90.00 |
Refinement procedure
| Resolution | 49.499 - 2.500 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hwc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.081 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.250 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.200 | 2.040 |
| Number of reflections | 126447 | ||
| Completeness [%] | 97.4 | 99.4 | 75.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277.15 | 20% (w/v) polyethylene glycol 3350,0.2M potassium sodium tartrate tetrahydrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
