Dear all, For a truly reliable result I think I would opt for a different experimental method. One of the XAS methods would probably give better percentage splits and much better bond lengths as well.
Good luck Darren On 8 Mar 2016, at 18:07, Almudena Ponce Salvatierra <[email protected]> wrote: Dear all, I'm working with two small proteins that require metal ions as cofactors. I have data at 2 Angstroms for both of them. I would like to determine how much of the protein has its cofactor in a pentacoordinated state and how much of it has it hexacoordinated. If this is possible. I... don't really know where to start. The first thing that came into my mind was to refine the occupancy of the coordinated residues/waters and try to figure it out from there. However this is something I've never done before and I would like to have input and advice if any of you are familiar with this question. Thank you very much in advance. Best wishes, Almudena -- Almudena Ponce-Salvatierra Macromolecular crystallography and Nucleic acid chemistry Max Planck Institute for Biophysical Chemistry Am Fassberg 11 37077 Göttingen Germany -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom
