4DPD
WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-29 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.057, 156.785, 165.032 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.820 - 2.500 |
| R-factor | 0.21511 |
| Rwork | 0.212 |
| R-free | 0.26648 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1j3i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.315 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.820 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.490 |
| Number of reflections | 53309 | |
| <I/σ(I)> | 19.1 | 2.8344 |
| Completeness [%] | 100.0 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.5 | 297 | PEG 4000, NH4OAc, pH 4.5, Microbatch, temperature 297K |
