3UJB
Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAH and phosphoethanolamine
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 | P 1 2 1 |
Unit cell lengths | 76.804, 44.158, 88.991 |
Unit cell angles | 90.00, 108.31, 90.00 |
Refinement procedure
Resolution | 38.112 - 1.521 |
R-factor | 0.1728 |
Rwork | 0.172 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.016 |
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] | 38.112 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Number of reflections | 87067 | |
<I/σ(I)> | 19.9 | 2 |
Completeness [%] | 99.7 | 99.2 |
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 |