7O9L
Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with cyanide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91985 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 141.050, 141.050, 95.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 1.850 |
| R-factor | 0.1559 |
| Rwork | 0.155 |
| R-free | 0.17990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7o9j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.103 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.740 | 1.940 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.039 | 0.360 |
| Number of reflections | 82374 | 10792 |
| <I/σ(I)> | 15.36 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26.4 | 26.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 2.4 M Sodium malonate pH 7.0 |
