3VSI
Crystal structure of native 1,6-APD (2-Animophenol-1,6-dioxygenase) complex with 4-Nitrocatechol
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 | 2007-06-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 272.730, 48.260, 108.120 |
| Unit cell angles | 90.00, 109.61, 90.00 |
Refinement procedure
| Resolution | 48.630 - 2.500 |
| R-factor | 0.208 |
| Rwork | 0.204 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vsg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.089 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.340 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.047 | 0.336 |
| Number of reflections | 42370 | |
| <I/σ(I)> | 28.2 | 3.2 |
| Completeness [%] | 91.0 | 81.6 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 0.2M SODIUM CHLORIDE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
