6I55
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.842, 158.422, 62.252 |
| Unit cell angles | 90.00, 106.56, 90.00 |
Refinement procedure
| Resolution | 48.733 - 1.980 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.821 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.733 | 2.018 |
| High resolution limit [Å] | 1.948 | 1.948 |
| Number of reflections | 68050 | |
| <I/σ(I)> | 12.02 | |
| Completeness [%] | 99.0 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCl pH 7.5-9.5 35% (w/v) PEG4000 50 mM Na-formate |
