3HYX
3-D X-Ray structure of the sulfide:quinone oxidoreductase from Aquifex aeolicus in complex with Aurachin C
Replaces: 3H29Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00148 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.180, 154.230, 176.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.130 - 2.900 |
| R-factor | 0.18358 |
| Rwork | 0.181 |
| R-free | 0.23996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3H27 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.255 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 67131 | |
| <I/σ(I)> | 16.74 | 4.05 |
| Completeness [%] | 98.8 | 95.7 |
| Redundancy | 3.72 | 3.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 4% PEG 400, 2M AMMONIUM SULFATE, 0.1M NA-ACETATE, PH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
