2YOR
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 QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.290, 95.030, 127.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.510 - 2.190 |
| R-factor | 0.17235 |
| Rwork | 0.169 |
| R-free | 0.23742 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.617 |
| Data scaling software | XDS |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.510 | 2.250 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 47667 | |
| <I/σ(I)> | 16.9 | 6 |
| Completeness [%] | 98.0 | 86.7 |
| Redundancy | 7.2 | 5.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2.0M AMMONIUM SULFATE, 100MM TRIS-HCL PH 8.5 |
