6VI9
Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 57.790, 57.790, 231.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.550 - 2.310 |
| R-factor | 0.23 |
| Rwork | 0.225 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.122 | 0.996 |
| Number of reflections | 11036 | 478 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 16.7 | 17.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 15% PEG8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride, pH 8.5 |
