3DGA
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-06 |
| Detector | Nonius Kappa CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.377, 156.015, 164.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.180 - 2.700 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.25600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j3i |
| RMSD bond length | 0.225 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.080 | 0.299 |
| Number of reflections | 41385 | |
| <I/σ(I)> | 18.8 | 4.41 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 4.7 | 3.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 297 | PEG 4000, NH4OAc, pH 4.6, MICROBATCH, temperature 297K |
