3VSH
Crystal structure of native 1,6-APD (with Iron), 2-Animophenol-1,6-Dioxygenase
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 | 2007-07-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 265.390, 47.470, 107.380 |
| Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
| Resolution | 47.930 - 2.700 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vsg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.118 |
| 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] | 47.950 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.119 | 0.333 |
| Number of reflections | 34673 | |
| <I/σ(I)> | 11.5 | 2.7 |
| Completeness [%] | 98.1 | 93.7 |
| Redundancy | 3.2 | 2.6 |
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 |
