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 |