3T70
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 41 |
| Unit cell lengths | 76.750, 76.750, 105.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.890 - 1.800 |
| R-factor | 0.20085 |
| Rwork | 0.199 |
| R-free | 0.23225 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vyq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.133 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.560 | 43.560 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | |
| Number of reflections | 56711 | |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 2.2M Ammonium sulphate, 0.2M di-sodium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
