[Ifeffit] Problems with EXAFS Fitting of Metalloprotein Zinc Samples

[Carolyn Carr]

Hi Robert,

Thanks for your reply. We have done this with standard samples and we  
see the same thing. And of course, we can tell qualitatively from the  
XANES that our sample is not 8 coordinate, and not even 6 coordinate.

We have never tried changing the temperature but we can try this the  
next time we go to SSRL.

We actually do fit multiple scattering features as imidazoles which is  
one of the things we consider as a strength of Artemis for our basic  
needs. This is part of why we think this is strange, because putting 8  
imidazoles around a zinc seems kind of silly but it likes it. 5  
imidazoles and 3 sulfurs and I have an R-factor of 0.2% every time.

If there is non standard multiple scattering that occurs in multiple  
unrelated proteins from different organisms then we would have no idea  
what this could be.

Thanks for your comments!

Carolyn Carr