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 |