3BDJ
Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.517, 124.074, 148.797 |
| Unit cell angles | 90.00, 91.01, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.000 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fo4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.409 |
| Number of reflections | 192610 | |
| <I/σ(I)> | 14.5 | 2.2 |
| Completeness [%] | 94.4 | 80.9 |
| Redundancy | 3.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | PEG 4000, DTT, GLYCEROL, KPI, NAPPI, EDTA, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
