3SZC
Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans in complex with gold (I) cyanide
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 | 2011-06-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 149.540, 149.540, 81.740 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.948 - 2.200 |
R-factor | 0.1836 |
Rwork | 0.181 |
R-free | 0.22440 |
Structure solution method | refinement |
RMSD bond length | 0.010 |
RMSD bond angle | 1.245 |
Data reduction software | MOSFLM |
Data scaling software | XDS |
Phasing software | PHENIX (1.7.1_743) |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.800 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.140 | 1.573 |
Number of reflections | 25168 | |
<I/σ(I)> | 10.5 | 1.9 |
Completeness [%] | 90.2 | 74.3 |
Redundancy | 14.4 | 14.2 |
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, 5 mM decylubiquinone, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |