3HYW
3-D X-Ray structure of the sulfide:quinone oxidoreductase of the hyperthermophilic bacterium Aquifex aeolicus in complex with decylubiquinone
Replaces: 3H28Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00150 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.780, 154.010, 175.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.450 - 2.000 |
R-factor | 0.20152 |
Rwork | 0.200 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3H27 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.151 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 194489 | |
<I/σ(I)> | 13.17 | 1.86 |
Completeness [%] | 96.2 | 76.7 |
Redundancy | 4.74 | 1.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 4% PEG 400, 2M AMMONIUM SULFATE, 0.1M NA-ACETATE, PH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |