3AM9
Complex of bovine xanthine dehydrogenase and trihydroxy FYX-051
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] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.916, 124.722, 146.195 |
| Unit cell angles | 90.00, 91.04, 90.00 |
Refinement procedure
| Resolution | 33.440 - 2.170 |
| R-factor | 0.17706 |
| Rwork | 0.174 |
| R-free | 0.24302 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fo4 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.099 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.440 | 2.280 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.082 | 0.310 |
| Number of reflections | 144234 | |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 295 | 30%(wt/vol) glycerol, 50mM potassium phosphate buffer (pH 6.5) containing 8.0-9.5% polyethylene glycol 4000, 30% (wt/vol) glycerol, 0.2mM EDTA, 5mM DTT , VAPOR DIFFUSION, SITTING DROP, temperature 295K |
