3SZF
Crystal structure of sulfide:quinone oxidoreductase H198A variant from Acidithiobacillus ferrooxidans in complex with bound trisulfide and decylubiquinone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 150.234, 150.234, 81.891 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.369 - 2.099 |
R-factor | 0.1827 |
Rwork | 0.180 |
R-free | 0.23280 |
Structure solution method | refinement |
RMSD bond length | 0.008 |
RMSD bond angle | 1.197 |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.099 | 2.099 |
Rmerge | 0.086 | 0.642 |
Number of reflections | 30889 | |
<I/σ(I)> | 18.7 | 1.5 |
Completeness [%] | 95.6 | 73.7 |
Redundancy | 8.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 30% PEG 600, 0.1 M bis-tris buffer,0.1 M MgSO4, 0.05% DDM, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |