3EL3
Distinct Monooxygenase and Farnesene Synthase Active Sites in Cytochrome P450 170A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2008-06-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 |
| Unit cell lengths | 107.548, 107.548, 141.648 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.480 - 3.300 |
| R-factor | 0.2279 |
| Rwork | 0.228 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dbg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.410 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.064 | 0.244 |
| Number of reflections | 12957 | |
| <I/σ(I)> | 2.37 | |
| Completeness [%] | 80.1 | 64.3 |
| Redundancy | 3.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 2.0 M ammonium sulphate, 0.1M Tris-HCl pH7.0, 1mM epi-isozizaene, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
