4RAN
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Detector technology | CCD |
Collection date | 2013-08-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.95369 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.090, 95.367, 139.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.005 - 2.549 |
R-factor | 0.2017 |
Rwork | 0.198 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.698 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 41.530 |
High resolution limit [Å] | 2.260 |
Number of reflections | 29382 |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 20% PEG 3000, 0.2 M calcium acetate, VAPOR DIFFUSION, HANGING DROP |