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. |