2YP1
Crystallization of a 45 kDa peroxygenase- peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 112.750, 144.880, 134.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.910 - 2.310 |
| R-factor | 0.18006 |
| Rwork | 0.177 |
| R-free | 0.23039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.206 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 2.370 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.060 | 0.220 |
| Number of reflections | 97006 | |
| <I/σ(I)> | 15.4 | 5.5 |
| Completeness [%] | 99.4 | 95.7 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2.0M AMMONIUM SULFATE, 200MM SODIUM ACETATE, PH 4.6 |
