6M35
Crystal structure of sulfur oxygenase reductase from Sulfurisphaera tokodaii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 3 |
Unit cell lengths | 299.806, 299.806, 299.806 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.680 - 1.730 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.17920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cb2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.688 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.700 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.126 | 2.112 |
Rpim | 0.028 | 0.491 |
Number of reflections | 460150 | 22755 |
<I/σ(I)> | 17.4 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.7 | 19.5 |
CC(1/2) | 0.999 | 0.626 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 293 | 1.2 M ammonium sulfate, 100 mM MES-NaOH (pH 6.1), 4% dioxane |