3UJD
Phosphoethanolamine methyltransferase mutant (Y19F) from Plasmodium falciparum in complex with phosphocholine
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 | 2011-08-20 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.227, 44.064, 76.974 |
| Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
| Resolution | 42.990 - 1.500 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.530 |
| High resolution limit [Å] | 1.496 | 1.500 |
| Number of reflections | 45420 | |
| <I/σ(I)> | 26.2 | 2 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 277 | 20% PEG-8000, 0.1 M sodium cacodylate, pH 6.5, 0.2 M sodium acetate, 5 mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
