4RX0
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 64 |
| Unit cell lengths | 85.933, 85.933, 138.425 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.000 - 2.250 |
| R-factor | 0.1794 |
| Rwork | 0.163 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i65 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.875 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.216 | 2.440 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 21906 | |
| <I/σ(I)> | 15.2 | 2 |
| Completeness [%] | 97.0 | 97.5 |
| Redundancy | 5.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.16 M Ammonium sulfate, 0.1 M MES, pH 6.5, 18% PEG500, 16% Glycerol, and 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
