3H8I
The first X-ray structure of a sulfide:quinone oxidoreductase: Insights into sulfide oxidation mechanism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 178.550, 178.550, 162.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.660 - 2.650 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22460 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.907 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | BUSTER-TNT (2.7.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.430 | 2.800 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.082 | 0.504 |
| Number of reflections | 44293 | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.2 M NH4H2PO4, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
