Journal
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
Volume 59, Issue -, Pages 1429-1434Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0907444903012526
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SAD data on a triiodide derivative of porcine pancreatic elastase have been recorded from a single sample using 2.0 Angstrom 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.
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