6VTY
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
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 | 2013-10-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.088, 97.521, 186.252 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.030 - 1.780 |
| Rwork | 0.151 |
| R-free | 0.19390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i65 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.511 |
| Data reduction software | HKL-2000 (V718) |
| Data scaling software | HKL-2000 (V718) |
| Phasing software | PHASER |
| Refinement software | PHENIX (V1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.030 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rpim | 0.030 | 0.656 |
| Number of reflections | 161464 | 8016 |
| <I/σ(I)> | 26.2 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 | 9 |
| CC(1/2) | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.17 M Ammonium Acetate, 0.1 M tri-Sodium citrate, pH 5.6, 25% PEG4000, 16% Glycerol 10 mM DTT |
