4BM3
CRYSTAL STRUCTURE OF MANGANESE PEROXIDASE 4 FROM PLEUROTUS OSTREATUS - CRYSTAL FORM III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-06 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.250, 86.530, 40.300 |
| Unit cell angles | 90.00, 107.82, 90.00 |
Refinement procedure
| Resolution | 38.366 - 1.650 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fmu |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.688 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.110 | 0.870 |
| Number of reflections | 48575 | |
| <I/σ(I)> | 11.5 | 2 |
| Completeness [%] | 99.4 | 97.6 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M TRIS-HCL AT PH 7.0, 2.0 M (NH4)2SO4 & 0.2 M LI2SO4. |
