3T2Y
Crystal structure of sulfide:quinone oxidoreductase His132Ala variant from Acidithiobacillus ferrooxidans with bound disulfide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-28 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 150.070, 150.070, 81.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.122 - 2.500 |
R-factor | 0.1817 |
Rwork | 0.177 |
R-free | 0.26340 |
Structure solution method | refinement |
RMSD bond length | 0.007 |
RMSD bond angle | 1.078 |
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] | 50.900 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.123 | 0.893 |
Number of reflections | 15185 | |
<I/σ(I)> | 14.1 | 2.4 |
Completeness [%] | 79.4 | 89.2 |
Redundancy | 10 | 9.9 |
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 |