1JRO
Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.100 |
Spacegroup name | P 1 |
Unit cell lengths | 92.875, 141.053, 158.113 |
Unit cell angles | 109.53, 105.83, 101.33 |
Refinement procedure
Resolution | 50.000 - 2.700 |
R-factor | 0.21505 |
Rwork | 0.213 |
R-free | 0.25154 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fo4 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.365 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.161 * | 0.730 * |
Total number of observations | 722868 * | |
Number of reflections | 187987 | |
<I/σ(I)> | 11.2 | 2.7 |
Completeness [%] | 99.2 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 | 295 | PEG, Tris, DTT, isopropanol at pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K |
1 | Vapor diffusion * | 8 | 295 | PEG, Tris, DTT, isopropanol at pH 8.0, VAPOR DIFFUSION, HANGING DROP at 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 8 (%) | |
3 | 1 | reservoir | 7.5 (mM) | ||
4 | 1 | reservoir | dithiothreitol | 25 (mM) | |
5 | 1 | reservoir | isopropanol | 3 (%) | |
6 | 1 | reservoir | Tris | 0.1 (M) | pH8.0 |