7PN6
Evolved unspecific peroxygenase with A77L mutation 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 | 2020-07-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.205, 57.908, 61.121 |
Unit cell angles | 90.00, 109.46, 90.00 |
Refinement procedure
Resolution | 48.330 - 1.500 |
R-factor | 0.1639 |
Rwork | 0.163 |
R-free | 0.18880 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5oxu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.492 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.330 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.106 | 0.642 |
Rmeas | 0.115 | 0.699 |
Rpim | 0.044 | 0.274 |
Number of reflections | 54034 | 2700 |
<I/σ(I)> | 15.1 | 5.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 1.45M sodium potassium phosphate pH 5.6, 3% MPD Soaking: 10 mM myristic acid, 18 hours, cryoprotected with 25% glycerol |