3UNC
Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2001-03-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.573, 124.370, 148.177 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| Rwork | 0.177 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBD Entry 1FO4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.548 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.670 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.053 | 0.454 |
| Number of reflections | 363495 | |
| <I/σ(I)> | 25.5 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Sitting Drop Batch Slide | 7.5 | 293 | 12 mg/ml Xanthine Dehydrogenase (from Bovine Milk), 8 % Polyethylene Glycol 4000, 30 % Glycerol, 5 mM Dithiothreitol, 0.5 mM Sodium Salicylate, 0.2 m Ethylenediaminetetraacetic Acid, 16.65 mM Sodium Pyrophosphate (pH 8.5), 25 mM Potasium Phosphate (pH 6.5). , Sitting Drop Batch Slide, temperature 293.0K |
