3UJ9
Phosphoethanolamine methyltransferase 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 | 2011-08-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.077, 43.982, 77.032 |
| Unit cell angles | 90.00, 109.07, 90.00 |
Refinement procedure
| Resolution | 24.866 - 1.240 |
| R-factor | 0.1487 |
| Rwork | 0.147 |
| R-free | 0.17330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.947 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.900 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Number of reflections | 76023 | |
| <I/σ(I)> | 29.3 | 3 |
| Completeness [%] | 94.3 | 88.5 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 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 |
