3UJ6
SeMet Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAM and PO4
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 | 2010-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.388, 44.151, 77.064 |
| Unit cell angles | 90.00, 108.61, 90.00 |
Refinement procedure
| Resolution | 36.518 - 1.974 |
| R-factor | 0.1527 |
| Rwork | 0.149 |
| R-free | 0.18510 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.015 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.518 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 19867 | |
| <I/σ(I)> | 25.2 | 11.1 |
| Completeness [%] | 97.3 | 67.6 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG-8000, 0.1 M sodium cacodylate, 0.2 M sodium acetate, 20 mM tris(2-carboxyethyl)phosphine (TCEP), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
