3T31
Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans in complex with decylubiquinone
Replaces: 3KPGExperimental 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 | 2009-08-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 150.770, 150.770, 82.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.910 - 2.300 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.143 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.113 | 0.987 |
Number of reflections | 24845 | |
<I/σ(I)> | 23.67 | 4.08 |
Completeness [%] | 99.7 | 100 |
Redundancy | 21.4 | 21.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PEG 600, 0.1 M bis-tris buffer, 0.1M MgSO4, 0.4mM DDM, 2 mM decylubiquinone, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |