2W3S
Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in Complex with Xanthine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.830, 140.560, 158.170 |
| Unit cell angles | 109.60, 105.89, 101.18 |
Refinement procedure
| Resolution | 50.120 - 2.600 |
| R-factor | 0.234 |
| Rwork | 0.232 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jro |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.423 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.640 | 2.620 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.130 | 0.670 |
| Number of reflections | 206556 | |
| <I/σ(I)> | 7.71 | 1.08 |
| Completeness [%] | 97.8 | 97.3 |
| Redundancy | 1.96 | 1.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.3 | 100 MM TRIS PH 8.3, 8% PEG 8000,7.5MM BACL2, 25MM DTT, 3% ISOPROPANOL |
