SAD phasing with triiodide, softer X-rays and some help from radiation damage

Acta Crystallogr D Biol Crystallogr. 2003 Aug;59(Pt 8):1429-34. doi: 10.1107/s0907444903012526. Epub 2003 Jul 23.

Abstract

SAD data on a triiodide derivative of porcine pancreatic elastase have been recorded from a single sample using 2.0 A wavelength X-rays. The large anomalous signal of iodine at this wavelength allowed the detection of heavy-atom sites and subsequent structure determination using low-redundancy data. Substantial radiation damage was observed during the measurements and this prevented the merging together of all data. However, a straightforward treatment of the radiation effects on the heavy-atom model during parameter refinement resulted in additional phase information being gleaned from the observed reduction in iodine occupancy factors, which in turn produced a significant improvement in the quality of the electron-density map.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Crystallography, X-Ray / methods*
  • Electrons
  • Iodides / chemistry*
  • Iodine / chemistry
  • Models, Molecular
  • Pancreatic Elastase / chemistry
  • Software
  • Swine
  • X-Rays

Substances

  • Iodides
  • Iodine
  • Pancreatic Elastase