2CB2
Sulfur Oxygenase Reductase from Acidianus Ambivalens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | I 4 |
| Unit cell lengths | 162.150, 162.150, 154.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 111.800 - 1.700 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.21000 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.718 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.900 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.550 |
| Number of reflections | 218799 | |
| <I/σ(I)> | 14.4 | 1.5 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | VAPOUR DIFFUSION IN SITTING DROPS WITH 2MICRO-L OF PROTEIN SOLUTION, 13MG/L 50MM TRIS/HCL PH 7.5, AND 2MICRO-L OF WELL SOLUTION, 0.1 M SODIUM CITRATE PH 5.5 WITH 0.3 M MGSO4 |
