6FSH
Crystal structure of hybrid P450 OxyBtei(BC/FGvan)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99991 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.270, 83.160, 92.220 |
| Unit cell angles | 85.20, 101.98, 97.83 |
Refinement procedure
| Resolution | 48.257 - 2.500 |
| R-factor | 0.1904 |
| Rwork | 0.188 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tvf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.024 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2645: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 | 0.460 |
| Number of reflections | 57549 | 6375 |
| <I/σ(I)> | 11.3 | 3 |
| Completeness [%] | 97.5 | 97 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES-NaOH pH 7.5, 0.2 M potassium acetate, 20% PEG 3350 |
