3VXJ
Dye-decolorizing peroxidase (DyP) complex with 2,6-dimethoxyphenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2009-11-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.167, 96.344, 49.778 |
| Unit cell angles | 90.00, 106.71, 90.00 |
Refinement procedure
| Resolution | 48.170 - 1.390 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3afv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.243 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.410 |
| High resolution limit [Å] | 1.390 | 3.770 | 1.390 |
| Rmerge | 0.049 | 0.033 | 0.283 |
| Number of reflections | 77992 | ||
| <I/σ(I)> | 16.8 | ||
| Completeness [%] | 95.7 | 82.5 | 94.9 |
| Redundancy | 3.6 | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | PEG8000, pH 6.0, vapor diffusion, hanging drop, temperature 278K |
