3SYI
Crystal structure of sulfide:quinone oxidoreductase Ser126Ala variant from Acidithiobacillus ferrooxidans using 7.0 keV diffraction data
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 | 2010-02-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.77120 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 149.790, 149.790, 81.911 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.069 - 2.200 |
R-factor | 0.1897 |
Rwork | 0.187 |
R-free | 0.23820 |
Structure solution method | refinement |
Starting model (for MR) | 3KPG |
RMSD bond length | 0.009 |
RMSD bond angle | 1.190 |
Data reduction software | MOSFLM |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.098 | 0.833 |
Number of reflections | 48437 | |
<I/σ(I)> | 14.5 | 1.3 |
Completeness [%] | 94.5 | 69.2 |
Redundancy | 12.2 | 2.6 |
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 |