5M0N
Crystal structure of cytochrome P450 OleT in complex with formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.170, 60.170, 241.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.210 - 1.440 |
| R-factor | 0.13639 |
| Rwork | 0.135 |
| R-free | 0.17262 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4l40 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.020 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.210 | 1.470 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.035 | 0.625 |
| Number of reflections | 77736 | |
| <I/σ(I)> | 25.8 | 2.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | Diffracting crystals were grown in 0.2 M MgCl2, 0.1 M HEPES, 20% PEG 6000, pH 7.5 |
