When I was at Santiago de Composrela Univ., we have had success with the CCP4 program ACORN even at around 1.2 Å resolution. Also peptides, no heavy atoms.Didn't do this myself though I have to admit, but could put you in contact with the people who did. Mark J van RaaijCNB-CSICwwwuser.csic.es/~mjvanraaij
Mark J van RaaijCNB-CSICwwwuser.csic.es/~mjvanraaij -------- Original message --------From: Kristof Van Hecke <kristofrg.vanhe...@gmail.com> Date: 02/08/2018 14:53 (GMT+01:00) To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Structure solution - hexapeptide Dear all, I’m trying to solve a structure of a (modified) hexapeptide: - inhouse (very decent) data up to 0.8 Angstrom - average redundancy = 10 - according to the Matthews coefficient of 1.88 with 34.77 %solvent, there should be 3 Nmol/asym - ‘large’ unit cell of about a=54, b=54, c=12 - SG = P3(1)12 or P3(2)12 As there’s (presumably) only C, H, N and O in the structure, I’m not able to solve this via Direct Methods, Charge Flipping etc,. Trying MR (with Phaser) doesn’t give any results either, as there’s hardly any homologous models Has anyone encountered a similar problem please, and could provide any possible solutions? (building in heavy atoms isn’t my first option at the moment,. ) Thank you very much Regards Kristof ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
