4YSX
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with the specific inhibitor NN23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-11 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 124.200, 127.909, 220.546 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vrb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.447 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.082 | 0.566 |
| Number of reflections | 166618 | |
| <I/σ(I)> | 11.4 | 2.9 |
| Completeness [%] | 96.4 | 91.6 |
| Redundancy | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 8.4 | 293 | 15% (W/V) PEG 3350, 100MM TRIS-HCL, 200MM NACL, 1MM SODIUM MALONATE, 0.06% (W/V) C12E8, 0.04% (W/V) C12M |
