7O2G
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with styrene
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 | 2020-09-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9772 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.900, 71.900, 154.555 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.190 - 2.100 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22260 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.717 |
| 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] | 154.550 | 154.550 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.221 | 0.040 | 5.707 |
| Rmeas | 0.230 | 0.043 | 5.931 |
| Rpim | 0.064 | 0.014 | 1.606 |
| Total number of observations | 302461 | 3917 | 26523 |
| Number of reflections | 23855 | 409 | 1968 |
| <I/σ(I)> | 8 | 36.4 | 0.5 |
| Completeness [%] | 97.1 | 100 | 99.8 |
| Redundancy | 12.7 | 9.6 | 13.5 |
| CC(1/2) | 0.998 | 0.999 | 0.379 |
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 |
