8OIW
Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group P 21 21 21)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97948 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.775, 124.859, 128.265 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.888 - 1.890 |
Rwork | 0.188 |
R-free | 0.21450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.414 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.890 | 1.920 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.170 | 0.405 |
Rpim | 0.048 | 0.123 |
Number of reflections | 131041 | 6365 |
<I/σ(I)> | 7.6 | 0.3 |
Completeness [%] | 100.0 | 98.1 |
Redundancy | 13.5 | 11.4 |
CC(1/2) | 0.998 | 0.253 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | His6-tagged GgUOX at approx. 22 mg/ml in 50 mM Tris-HCl pH 8.0, 10 mM NaCl, 1 mM TCEP-HCl was incubated with a 20-fold molar excess of AZA. Crystals were obtained by mixing the protein with 0.8M K/Na tartrate tetrahydrate, 0.1 M HEPES pH 7.5 using a 1:1 ratio. Crystals were transferred into cryoprotective solutions supplemented with 100 mM H2O2 and devoid of the TCEP-HCl reducing agent for approximately 15 minutes prior to cryocooling in liquid nitrogen. |