5M0O
Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.928, 115.494, 163.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.500 - 1.800 |
| R-factor | 0.18269 |
| Rwork | 0.181 |
| R-free | 0.21996 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.875 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.500 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.051 | 0.681 |
| Number of reflections | 81942 | |
| <I/σ(I)> | 11.4 | 2.6 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 6.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M ammonium acetate, 0.1 M Bis Tris, 25% w/v PEG 3350, pH 5.5 |
