8RNK
Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) in complex with myristic acid
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 | 2021-04-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 75.500, 75.500, 186.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.600 |
| R-factor | 0.17098 |
| Rwork | 0.170 |
| R-free | 0.19297 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.395 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.970 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.045 | 0.601 |
| Rmeas | 0.048 | 0.661 |
| Rpim | 0.018 | 0.272 |
| Number of reflections | 71442 | 3506 |
| <I/σ(I)> | 18.8 | 2.1 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.7 | 5.7 |
| CC(1/2) | 0.999 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 25% PEG 4000, 100mM sodium acetate pH 4.6, 200mM ammonium sulfate. Soaking: 10 mM myristic acid, 4 hours, cryoprotected with 20% glycerol |
