9RFY
Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant
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 | 2022-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 76.677, 76.677, 273.793 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.710 - 2.550 |
| R-factor | 0.19369 |
| Rwork | 0.191 |
| R-free | 0.24731 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.532 |
| 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] | 47.710 | 2.660 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.107 | 0.613 |
| Rmeas | 0.119 | 0.683 |
| Rpim | 0.052 | 0.299 |
| Number of reflections | 29600 | 3621 |
| <I/σ(I)> | 10.6 | 3.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.1 | 5.1 |
| CC(1/2) | 0.996 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 10% (v/v) PEG 8000, 100mM MES pH 6.5, 200mM Zn acetate |
