Re: [ccp4bb] Polymer ligand (Jefffamin) modeling in low resolution maps

2022-08-21 Thread Robbie Joosten
From: CCP4 bulletin board > <mailto:CCP4BB@JISCMAIL.AC.UK> on behalf of Jan Stransky > <mailto:jan.stransky.c...@gmail.com> > Sent: 18 August 2022 10:37 > To: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> > <mailto:CCP4BB@JISCMAIL.AC.U

Re: [ccp4bb] Polymer ligand (Jefffamin) modeling in low resolution maps

2022-08-19 Thread Jan Stransky
-- *From:* CCP4 bulletin board on behalf of Jan Stransky *Sent:* 18 August 2022 10:37 *To:* CCP4BB@JISCMAIL.AC.UK *Subject:* [ccp4bb] Polymer ligand (Jefffamin) modeling in low resolution maps Dear all, we have a structure at not the greatest resolution (~2.6A) of which crystal was grow

Re: [ccp4bb] Polymer ligand (Jefffamin) modeling in low resolution maps

2022-08-19 Thread Jon Cooper
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

[ccp4bb] Polymer ligand (Jefffamin) modeling in low resolution maps

2022-08-18 Thread Jan Stransky
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.