7O1R
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.726, 71.726, 153.704 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.210 - 1.300 |
| R-factor | 0.1404 |
| Rwork | 0.140 |
| R-free | 0.15820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fuk |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.286 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.210 | 48.160 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.158 | 0.053 | 4.771 |
| Rmeas | 0.161 | 0.055 | 4.870 |
| Rpim | 0.032 | 0.012 | 0.973 |
| Total number of observations | 15831 | 120423 | |
| Number of reflections | 99264 | 743 | 4837 |
| <I/σ(I)> | 14.8 | 66.7 | 0.8 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 25.8 | 21.3 | 24.9 |
| CC(1/2) | 0.999 | 0.999 | 0.443 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG500 MME, 10% PEG20000, 0.1 M MES monohydrate pH 6.5, 0.1 M Imidazole |
