6AD4
Rat Xanthine oxidoreductase, D428A variant, NADH bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.718, 138.334, 222.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.360 - 1.800 |
| R-factor | 0.16525 |
| Rwork | 0.164 |
| R-free | 0.19829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3an1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.730 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.360 | 1.842 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.215 |
| Number of reflections | 282210 | 26270 |
| <I/σ(I)> | 21.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 9-11% polyethylene glycol 8000, 0.6M Li2SO4, 5mM DTT, 1mM sodium salicylate, 0.4mM EDTA, 15% glycerol, 40mM HEPES (pH 6.20), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
