4BM4
CRYSTAL STRUCTURE OF MANGANESE PEROXIDASE 4 FROM PLEUROTUS OSTREATUS - CRYSTAL FORM IV
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 | 123.870, 86.500, 41.400 |
Unit cell angles | 90.00, 108.05, 90.00 |
Refinement procedure
Resolution | 43.250 - 2.300 |
R-factor | 0.2287 |
Rwork | 0.225 |
R-free | 0.29710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fmu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.251 |
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 | 2.430 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.300 |
Number of reflections | 18317 | |
<I/σ(I)> | 14.2 | 5.2 |
Completeness [%] | 97.6 | 92.5 |
Redundancy | 6.6 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M CAPS AT PH 10.5, 1.2 M NAH2PO4/0.8 M K2HPO4 & 0.2 M LI2SO4. |