5FUJ
Crystallization of a dimeric heme peroxygenase from the fungus Marasmius rotula
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.495, 75.698, 104.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.770 - 1.830 |
| R-factor | 0.15633 |
| Rwork | 0.155 |
| R-free | 0.18975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yor |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.470 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 46573 | |
| <I/σ(I)> | 24.27 | 4.06 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.15 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE, 15% PEG4000, 15% GLYCEROL |
