7CTW
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2019-10-10 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.185, 154.730, 163.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.812 - 2.510 |
| Rwork | 0.221 |
| R-free | 0.29470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dpd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.693 |
| 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] | 24.812 | 2.750 |
| High resolution limit [Å] | 2.510 | 2.650 |
| Rmerge | 0.140 | 0.391 |
| Number of reflections | 41512 | 4275 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 97.8 | 91.7 |
| Redundancy | 5.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5 | 297 | 0.1M Na malonate, 12% PEG 3350 |
