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Journal of Biosciences

, Volume 8, Issue 1–2, pp 45–55 | Cite as

X-ray studies of water structure in 2 Zn insulin crystal

  • Noriyoshi Sakabe
  • Kiwako Sakabe
  • Kyoyu Sasaki
Article

Abstract

The water structure of rhombohedral 2 Zn insulin crystal which contains about 280 water molecules and 0.55-0.60 mol citrate molecules per dimer has been studied by X-ray crystallographic refinement with 1.1 A resolution data. Atomic parameters of 83 fully occupied and 258 partially occupied water molecules and 0.3 mol of citrate were obtained. Full matrix least-squares method with isotropic temperature factor was used for the refinement of partially occupied water molecules. The water molecules in this crystal exist in one of the three states: fully occupied water, partially occupied water and water continuum, and a schematic model of water structure in protein crystal was proposed. The flexibility of water molecules is described.

Key words

X-ray analysis water structure in protein crystal 2 Zn insulin crystal fully matrix least-squares refinement disordered water 

Abbreviation used

NMR

Nuclear magnetic resonance

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Copyright information

© Indian Academy of Sciences 1985

Authors and Affiliations

  • Noriyoshi Sakabe
    • 1
  • Kiwako Sakabe
    • 1
  • Kyoyu Sasaki
    • 2
  1. 1.Department of Chemistry, Faculty of ScienceNagoya UniversityNagoyaJapan
  2. 2.College of Medical TechnologyNagoya UniversityNagoyaJapan

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