7CTY
Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2019-09-18 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.143, 154.088, 163.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.700 - 2.800 |
| Rwork | 0.234 |
| R-free | 0.30310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dpd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.647 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.527 | 2.940 |
| High resolution limit [Å] | 2.641 | 2.800 |
| Rmerge | 0.093 | 0.188 |
| Number of reflections | 34592 | 4123 |
| <I/σ(I)> | 12.68 | |
| Completeness [%] | 96.7 | 88.4 |
| Redundancy | 4.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5 | 297 | 0.1M Na malonate, 13%PEG4000 |
