1VYQ
Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2003-01-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 |
| Unit cell lengths | 62.830, 62.830, 121.527 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.196 |
| Rwork | 0.191 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mq7 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.098 | 0.669 |
| Number of reflections | 18324 | |
| <I/σ(I)> | 16 | 1.4 |
| Completeness [%] | 100.0 | 95 |
| Redundancy | 4.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 10 MG/ML PROTEIN SOLUTION CONTAINING 3-FOLD EXCESS OF INHIBITOR. 0.1 M HEPES PH 7.1, 25% W/W PEG-MME 2000, 0.8 M SODIUM FORMATE |
