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Nucleotides are the basic components of nucleic acids. Nucleotides crystallize as hydrates. Layered structures made of molecular layers of nucleotides and inorganic layers of counter ions and crystal water molecules are constructed. In some cases, diffused scatterings attribute to dynamic disorder of inorganic layers were observed, and phase transitions occurred around 200 K. Freezing of hydration water around biomolecules causes attention in connection to the glass transition of proteins. Disodium uridine 5’-monophosphate heptahydrate (Na2UMP.7H2O) was one of the representative cases. Fundamental diffractions streak along the c* axis and weak diffused diffractions due to a super-lattice were observed at 300 K (Fig. 1). Phase transition occurred around 220 K, and diffused diffractions changed to spots. There were 42 water molecules and 12 sodium ions in an asymmetric unit of the averaged structure at 300 K. In the low temperature phase, the numbers became four-fold, i.e., 168 water molecules and 48 sodium ions in an asymmetric unit. The hydrogen bonding and sodium coordination networks in nucleotide hydrates were analyzed, and the origin of the dynamic disorder will be discussed.

Diffused scattering and dynamic disorder observed nucleotide hydrates