2W3R
Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in complex with hypoxanthine
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 | 2008-07-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.770, 139.940, 158.040 |
| Unit cell angles | 109.33, 106.15, 101.05 |
Refinement procedure
| Resolution | 51.230 - 2.900 |
| R-factor | 0.242 |
| Rwork | 0.240 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jro |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.983 |
| 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] | 51.030 | 2.720 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.860 |
| Number of reflections | 183839 | |
| <I/σ(I)> | 6.4 | 0.84 |
| Completeness [%] | 98.2 | 97.7 |
| Redundancy | 1.97 | 1.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.3 | 7.5 MM BACL2, 8% PEG 8000, 100 MM TRIS-HCL PH 8.3, 25 MM DTT AND 3% ISOPROPANOL |
