3T60
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.976 |
Spacegroup name | P 41 |
Unit cell lengths | 76.972, 76.972, 106.924 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.396 |
R-factor | 0.19905 |
Rwork | 0.196 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vyq |
RMSD bond length | 0.024 |
RMSD bond angle | 2.508 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.396 |
Rmerge | 0.090 |
Number of reflections | 24538 |
<I/σ(I)> | 13.6 |
Completeness [%] | 99.3 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 294 | 0.2M ammonium sulphate, 0.1M sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K |