5FI8
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)
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 | 2014-04-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 64 |
| Unit cell lengths | 86.147, 86.147, 139.053 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.500 - 2.320 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i65 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.850 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.500 | 2.360 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Number of reflections | 25308 | |
| <I/σ(I)> | 43.4 | 1 |
| Completeness [%] | 99.5 | 0.88 |
| Redundancy | 12.5 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 0.16 M Ammonium sulfate, 0.1 M NaAcetate, pH 4.2, 9.5% PEG4000 (w/v), 24% Glycerol (v/v), and 10 mM DTT |
