6AC4
Rat Xanthine oxidoreductase, D428N variant
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 | 98.296, 138.648, 221.865 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.630 - 2.190 |
R-factor | 0.17764 |
Rwork | 0.175 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wyg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.387 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.630 | 2.247 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.094 | 0.416 |
Number of reflections | 162134 | 26792 |
<I/σ(I)> | 17.5 | |
Completeness [%] | 98.7 | |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 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 |