3UJC
Phosphoethanolamine methyltransferase mutant (H132A) 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 | 2011-07-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.302, 44.193, 76.949 |
Unit cell angles | 90.00, 108.80, 90.00 |
Refinement procedure
Resolution | 28.910 - 1.190 |
R-factor | 0.146 |
Rwork | 0.145 |
R-free | 0.16690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.980 |
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] | 28.910 | 1.210 |
High resolution limit [Å] | 1.190 | 1.190 |
Number of reflections | 90748 | |
<I/σ(I)> | 27.4 | 2 |
Completeness [%] | 99.6 | 95.2 |
Redundancy | 3.5 |
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 |