7ZBP
Unspecific peroxygenase from Marasmius rotula
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2020-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97924 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.349, 107.440, 186.231 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.440 - 1.450 |
| R-factor | 0.1592 |
| Rwork | 0.158 |
| R-free | 0.18420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yor |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.835 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.440 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmeas | 0.094 | 0.810 |
| Rpim | 0.037 | 0.330 |
| Number of reflections | 175829 | 25506 |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 20% PEG 3000, 0.1 M sodium acetate, pH 4.5 |
