6AC1
Rat Xanthine oxidoreductase, 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 | 98.801, 137.548, 222.251 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.190 - 1.770 |
| R-factor | 0.18922 |
| Rwork | 0.188 |
| R-free | 0.22195 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yty |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.574 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.190 | 1.813 |
| High resolution limit [Å] | 1.770 | 1.787 |
| Rmerge | 0.131 | 1.396 |
| Number of reflections | 292799 | 28594 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | PEG 8000, HEPES, lithium sulfate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
