Low-resolution ab initio phasing of Sarcocystis muris lectin SML-2


  • J.J. Mueller
  • N.L. Lunina
  • A. Urzhumtsev
  • E. Weckert
  • U. Heinemann
  • V.Y. Lunin


  • Acta Crystallographica Section D


  • Acta Crystallogr D Biol Crystallogr 62 (Pt 5): 533-540


  • Structural analysis of the lectin SML-2 faced difficulties when applying standard crystallographic phasing methods. The connectivity-based ab initio phasing method allowed the computation of a 16 A resolution Fourier synthesis and the derivation of primary structural information. It was found that SML-2 crystals have three dimers in the asymmetric part of the unit cell linked by a noncrystallographic symmetry close to translation by (0, 0, 1/3). A clear identification of the noncrystallographic twofold axis explains the space-group transformation from the primitive P2(1)2(1)2(1) to the C-centred C222(1) observed during annealing procedures within an N(2) cryostream for cocrystals of SML-2 and galactose. Related packing considerations predict a possible arrangement of SML-2 molecules in a tetragonal unit cell. Multiple noncrystallographic symmetries and crystal forms provide a basis for further image improvements.