5BOO
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 | 2010-12-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 89.257, 89.257, 275.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.100 - 2.800 |
| R-factor | 0.235 |
| Rwork | 0.234 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rx0 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.059 |
| 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] | 44.100 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.067 | 1.000 |
| Number of reflections | 30850 | |
| <I/σ(I)> | 26.3 | 1.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 16 M ammonium sulfate, 0.1 M Sodium Acetate, pH 4.8, 20% (w/v) PEG4000, 24% (v/v) glycerol, and 10 mM DTT |
