4FGZ
Crystal Structure of Phosphoethanolamine Methyltransferase from Plasmodium falciparum in Complex with Amodiaquine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2011-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 66.051, 60.639, 68.151 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 34.075 - 1.994 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.007 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.100 | 34.100 | 2.020 |
| High resolution limit [Å] | 1.990 | 5.400 | 1.990 |
| Number of reflections | 34098 | ||
| <I/σ(I)> | 19.7 | 37.4 | 2 |
| Completeness [%] | 92.4 | 99.3 | 65.8 |
| Redundancy | 3.6 | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 30% PEG8000, 0.1 M sodium cacodylate, pH 6.5, 0.2 M sodium acetate, 5 mM beta-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
