7O1X
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 1-phenylimidazole
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 | 2020-02-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.535, 71.535, 153.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.080 - 1.600 |
| R-factor | 0.1344 |
| Rwork | 0.134 |
| R-free | 0.15940 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.109 |
| 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] | 48.080 | 48.030 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.159 | 0.088 | 1.746 |
| Rmeas | 0.166 | 0.092 | 1.813 |
| Rpim | 0.046 | 0.027 | 0.487 |
| Total number of observations | 4399 | 35537 | |
| Number of reflections | 53428 | 415 | 2629 |
| <I/σ(I)> | 11.5 | 30.1 | 2.1 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 12.9 | 10.6 | 13.5 |
| CC(1/2) | 0.998 | 0.998 | 0.782 |
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 |
