✦ LIBER ✦

On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength

✍ Scribed by Mueller-Dieckmann, Christoph ;Panjikar, Santosh ;Tucker, Paul A. ;Weiss, Manfred S.

Publisher: International Union of Crystallography
Year: 2005
Tongue: English
Weight: 473 KB
Volume: 61
Category: Article
ISSN: 0907-4449
DOI: 10.1107/s0907444905021475

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✦ Synopsis

Complete and highly redundant data sets were collected at different wavelengths between 0.80 and 2.65 A ˚for a total of ten different protein and DNA model systems. The magnitude of the anomalous signal-to-noise ratio as assessed by the quotient R anom /R r.i.m. was found to be influenced by the datacollection wavelength and the nature of the anomalously scattering substructure. By utilizing simple empirical correlations, for instance between the estimated ÁF/F and the expected R anom or the data-collection wavelength and the expected R r.i.m. , the wavelength at which the highest anomalous signal-to-noise ratio can be expected could be estimated even before the experiment. Almost independent of the nature of the anomalously scattering substructure and provided that no elemental X-ray absorption edge is nearby, this optimal wavelength is 2.1 A ˚.

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