5VE5
Crystal structure of persulfide dioxygenase rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans in complex with glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 83.503, 83.503, 547.609 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.656 - 2.350 |
R-factor | 0.1989 |
Rwork | 0.197 |
R-free | 0.25200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ve4 |
RMSD bond length | 0.013 |
RMSD bond angle | 0.983 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.558 | 46.558 | 2.490 |
High resolution limit [Å] | 2.340 | 6.960 | 2.340 |
Rmerge | 0.126 | 0.050 | 1.393 |
Rmeas | 0.134 | 0.053 | 1.476 |
Total number of observations | 424862 | ||
Number of reflections | 49143 | 2151 | 7694 |
<I/σ(I)> | 10.98 | 35.49 | 1.75 |
Completeness [%] | 99.6 | 98 | 99 |
Redundancy | 8.645 | 7.915 | 9.156 |
CC(1/2) | 0.998 | 0.998 | 0.935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M imidazole, pH 8.0, 0.12 M sodium chloride, 25% PEG8000, 5 mM GSH |