3UNA
Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NAD Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 1999-09-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.99077 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.028, 123.182, 147.624 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| Rwork | 0.181 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fo4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.064 | 0.380 |
| Number of reflections | 232449 | |
| <I/σ(I)> | 23.6 | 3.7 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 5.3 | 4.6 |
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 293K |
