Hello Jan Not a very helpful suggestion, but using rcsb's ligand-expo site I did find some structures of similar resolution in the PDB with jeffamine present. I don't know if looking at them would be helpful and you have probably done that already.
Sent from ProtonMail mobile -------- Original Message -------- On 18 Aug 2022, 10:37, Jan Stransky wrote: > Dear all, we have a structure at not the greatest resolution (~2.6A) of which > crystal was grown in crystallization condition with Jeffamin. In the maps, we > see typical PEG-like sausages. Jeffamin is basically a PEG decorated with > some methyl groups and it is terminated with amine groups. Now, the question > is how to interpret such blobs? To my understanding the methyl decoration is > not regular, and it is not obviously visible in the maps. Nor is clear, if > there is a contact to the amine group. When we tried to put in PEG models as > placeholders, it explains the density fine, but the contacts are nothing > great, e.g. position of the oxygens in the polymer is not clear. Calculating > Polder maps does not clear things up. How would you deal with interpretation > such maps? Thank you for your ideas :-) Jan > ######################################################################## To > unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message > was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by > www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
