5OY2
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with DMP
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 | 2014-11-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.115, 58.021, 60.853 |
Unit cell angles | 90.00, 109.65, 90.00 |
Refinement procedure
Resolution | 48.140 - 1.360 |
R-factor | 0.16016 |
Rwork | 0.160 |
R-free | 0.16961 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5oxu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.318 |
Data reduction software | XDS (0.72) |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP (11.5.02) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.140 | 1.380 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.084 | 0.695 |
Rpim | 0.035 | 0.293 |
Number of reflections | 71897 | 3579 |
<I/σ(I)> | 14.9 | 3.1 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 6.7 | 6.5 |
CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 1.6 M sodium potassium phosphate pH 5.6 |