4YT0
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with 2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 122.803, 123.392, 219.001 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.660 |
R-factor | 0.19655 |
Rwork | 0.193 |
R-free | 0.26239 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ysx |
RMSD bond length | 0.006 |
RMSD bond angle | 1.144 |
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 | 3.710 |
High resolution limit [Å] | 3.650 | 3.650 |
Rmerge | 0.164 | 0.575 |
Number of reflections | 37582 | |
<I/σ(I)> | 4.5 | 2.4 |
Completeness [%] | 97.3 | 94.1 |
Redundancy | 5.4 | 4.6 |
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 |