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 |