8QWT
Ligninolytic manganese peroxidase Cst-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 | 2019-07-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.790, 56.640, 109.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.755 - 1.500 |
Rwork | 0.163 |
R-free | 0.18880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.863 |
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] | 56.640 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.114 | 1.147 |
Rmeas | 0.138 | 1.389 |
Rpim | 0.076 | 0.773 |
Number of reflections | 48414 | 2237 |
<I/σ(I)> | 8.3 | 1.8 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5.8 | |
CC(1/2) | 0.996 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 20% PEG 8000, 0,1 M Tris-HCl, pH 7, 0,3M MgCl2 |