3VXI
Dye-decolorizing peroxidase (DyP) complex with ascorbic acid
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 | 2012-06-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.892, 95.912, 50.333 |
| Unit cell angles | 90.00, 103.81, 90.00 |
Refinement procedure
| Resolution | 48.880 - 1.500 |
| R-factor | 0.1738 |
| Rwork | 0.173 |
| R-free | 0.19260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3afv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.235 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.050 | 0.025 | 0.283 |
| Number of reflections | 68745 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 99.5 | 98.8 | 98.9 |
| Redundancy | 3.8 | 3.7 | 3.7 |
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 |
