9HE6
Unspecific peroxygenase from Psathyrella aberdarensis (PabUPO-II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 272.859, 74.840, 105.579 |
| Unit cell angles | 90.00, 111.61, 90.00 |
Refinement procedure
| Resolution | 48.430 - 2.300 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.22169 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.349 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.080 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.699 |
| Rmeas | 0.088 | 0.792 |
| Rpim | 0.041 | 0.367 |
| Number of reflections | 88037 | 4524 |
| <I/σ(I)> | 12.6 | 2.9 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 2M ammonium sulphate, 100 mM HEPES pH 7.5 Cryoprotected with 20% glycerol |
