8QX0
Ligninolytic manganese peroxidase Ape-MnP1 from Agaricales mushrooms in complex with a manganese ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2018-10-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.630, 39.811, 63.560 |
Unit cell angles | 90.00, 101.50, 90.00 |
Refinement procedure
Resolution | 62.284 - 1.247 |
Rwork | 0.177 |
R-free | 0.19890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 2.059 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.290 | 1.270 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.048 | 0.497 |
Rmeas | 0.068 | 0.700 |
Rpim | 0.048 | 0.493 |
Number of reflections | 81601 | 3964 |
<I/σ(I)> | 10 | 1.7 |
Completeness [%] | 95.2 | 94.9 |
Redundancy | 3.2 | 3.2 |
CC(1/2) | 0.999 | 0.539 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 295 | 30% P2000 MME, 0,1 M sodium citrate, pH 4.2 |