3T2Z
Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans
Replaces: 3KPIExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 131.729, 131.729, 208.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.918 - 2.299 |
R-factor | 0.1742 |
Rwork | 0.172 |
R-free | 0.21190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3H27 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.189 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.299 | 2.299 |
Rmerge | 0.097 | 0.986 |
Number of reflections | 82166 | |
<I/σ(I)> | 19.5 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 30% PEG 600, 0.1 M bis-tris buffer, 0.1M (NH4)2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |