Characterization, crystallization and preliminary X-ray analysis of bifunctional dihydrofolate reductase-thymidylate synthase from Plasmodium falciparum

Acta Crystallogr D Biol Crystallogr. 2004 Apr;60(Pt 4):780-3. doi: 10.1107/S0907444904001544. Epub 2004 Mar 23.

Abstract

The full-length pfdhfr-ts genes of the wild-type TM4/8.2 and the double mutant K1CB1 (C59R+S108N) from the genomic DNA of the corresponding Plasmodium falciparum parasite have been cloned into a modified pET(17b) plasmid and expressed in Escherichia coli BL21 (DE3) pLysS. Conditions for the expression and purification of the P. falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) have been established that yield approximately 1 mg of the soluble active enzyme per litre of culture. The purified enzymes have been crystallized using a modified microbatch method with PEG 4000 as the primary precipitating agent. X-ray diffraction data were collected to 2.50 and 2.64 A resolution under cryogenic conditions from single crystals of the two PfDHFR-TS proteins in complex with NADPH, dUMP and either Pyr30 or Pyr39. Preliminary X-ray analysis indicated that the crystals belong to the orthorhombic space group P2(1)2(1)2(1), with two molecules per asymmetric unit and approximately 52% solvent content (VM approximately 2.6 A3 Da-1). The use of a particular type of baby oil in the microbatch setup appeared to be beneficial to PfDHFR-TS crystallization and a preliminary comparison with another commonly used oil is described.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Cloning, Molecular
  • Crystallization*
  • Crystallography, X-Ray
  • Deoxyuracil Nucleotides
  • Genetic Engineering
  • NADP
  • Plasmodium falciparum / enzymology*
  • Polyethylene Glycols
  • Protozoan Proteins / chemistry
  • Tetrahydrofolate Dehydrogenase / chemistry*
  • Thymidylate Synthase / chemistry*

Substances

  • Deoxyuracil Nucleotides
  • Protozoan Proteins
  • Polyethylene Glycols
  • NADP
  • 2'-deoxyuridylic acid
  • Tetrahydrofolate Dehydrogenase
  • Thymidylate Synthase