2W54
Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde
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 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 92.571, 140.695, 157.859 |
Unit cell angles | 109.63, 105.83, 101.23 |
Refinement procedure
Resolution | 50.000 - 3.300 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jro |
RMSD bond length | 0.006 |
RMSD bond angle | 0.992 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.360 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.180 | 0.650 |
Number of reflections | 102161 | |
<I/σ(I)> | 8.9 | 2.6 |
Completeness [%] | 99.1 | 98.6 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 100 MM TRIS PH 8.3, 6-8 % PEG 8000, 6-8 MM BACL, 5-25 MM DTT, 3-4 % ISOPROPANOL, 10-15 MG/ML PROTEIN, HANGING DROP VAPOR DIFFUSION |