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 |
