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 |
