3T64
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 | 2009-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 41 |
| Unit cell lengths | 77.010, 77.010, 106.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.440 - 1.650 |
| R-factor | 0.1914 |
| Rwork | 0.190 |
| R-free | 0.21555 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vyq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.335 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.200 | 36.200 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.082 | |
| Number of reflections | 74358 | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 |
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 |
