8AV5
Glycosylated PaDa-I mutant of Unspecific Peroxygenase from Agrocybe aegerita
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2017-02-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 77.660, 77.660, 123.883 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.180 - 1.620 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yor |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.843 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.660 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.080 | 1.360 |
| Rpim | 0.040 | 0.610 |
| Number of reflections | 55636 | 2710 |
| <I/σ(I)> | 13.3 | 1.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 9.5 | |
| CC(1/2) | 1.000 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M bis-Tris buffer pH 6.5; 26% (w/v) PEG 3350; 0.2M sodium acetate |
