[phenixbb] distinguish between metals

Aleksandar Bijelic aleksandar.bijelic at univie.ac.at
Tue Jul 1 08:44:04 PDT 2014

Dear phenix developers and users,
I wanted to ask if there is a possibility to considerably distinguish
betwenn two/three metals. I crystallized an iron-binding protein
(transferrin in apo form) with a Ru- and Ga-compound. I see density in the
metal-binding site which should come from the Ru/Ga metal since
crystallization was done with the apo-form, but nevertheless I need to
prove this. The wavelength of the X-ray was 1.02 Angstrom and the
respective f''and f' values for the metals are +1.66e/+0.30e (Fe),
+1.62/-0.5 (Ru) and +2.95/-0.76 (Ga). Is it possible to distinguish
between Ru/Ga and Fe and thus to prove that Fe was not bound? The
resolution is moderate with 3.1 angstrom and all metals are able to
exhibit the same coordination geometry, thus you cannot distinguish
according to the geometry. Unfortunately, I was also not able to measure
the crystal with multiple wavelenghts because the crystals were very
fragile. I hope you can help me and give me some advice. Thank you in

Best Regards,


Aleksandar Bijelic, MSc.

Institut für Biophysikalische Chemie
Universität Wien

Althanstrasse 14
1090 Wien

Tel: +43 1 4277 52536

e-Mail:aleksandar.bijelic at univie.ac.at

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