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 |