7CTZ
Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 148, NADPH, and dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2019-09-19 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.638, 155.639, 164.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.826 - 2.650 |
| Rwork | 0.255 |
| R-free | 0.32450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dpd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.843 |
| Data reduction software | PROTEUM PLUS |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.830 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.161 | 0.509 |
| Number of reflections | 42316 | 1884 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 97.9 | 99.9 |
| Redundancy | 5.85 | 4.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 297 | 0.1M NaOAc, 0.17 M Ammonium acetate, 18% PEG 4000 |
