3H8L
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 | 2007-04-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.943 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 179.657, 179.657, 163.397 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.680 - 2.570 |
| R-factor | 0.1952 |
| Rwork | 0.194 |
| R-free | 0.22180 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.892 |
| 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] | 51.440 | 2.710 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.075 | 0.510 |
| Number of reflections | 49511 | |
| <I/σ(I)> | 20 | 2.6 |
| Completeness [%] | 96.8 | |
| Redundancy | 7.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 2.2 M NH4H2PO4, 100 mM Tris-HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
