Non-crystallographic symmetry of crystal of neutral phospholipase A2 from Agkistrodon halys Pallas

Agkistrodotoxin, a neutral phospholipase A₂ with high presynaptic neurotoxicity from the venom of Agkistrodon halys Pallas, has been crystallized by hanging drop vapor diffusion method. The crystal belongs to P2₁ space group with the cell dimensions a = 10.836 nm, b=8.486nm, c = 7.082nm, β=109.87$ showing C2 pseu-do-symmetry. Diffraction data to 0. 26 nm resolution have been collected on a Siemens X-200B area detector. C2 pseu-do-symmetry suggests that there exists a non-crystallographic two-fold axis parallel to crystallographic b axis. Self-rotation function calculation with different integrated radius and resolution ranges using the program POLARRFN yields four stable high peaks corresponding to three more non-crystallographic two-fold axis and one special non-crystal-lographic symmetry. The molecules in the asymmetric unit are suggested to be arranged in a manner of "dimer of dimers" by inference.