3NS1
Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Detector technology | CCD |
| Collection date | 2008-10-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 134.636, 73.928, 140.353 |
| Unit cell angles | 90.00, 97.01, 90.00 |
Refinement procedure
| Resolution | 45.500 - 2.600 |
| R-factor | 0.2195 |
| Rwork | 0.217 |
| R-free | 0.26910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.682 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP (CCP4) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 2.668 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 78350 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 92.4 | 92.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting batch | 7 | 298 | PEG 8000, pH 7.0, sitting batch, temperature 298K |
