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 |