I’ll second the use of ACORN. I was able to solve an RNA duplex structure with 1.4 Å data using the program, and it only took about 20 minutes of CPU time on an old (~5 years) Mac Pro.
Diana ************************************************** Diana R. Tomchick Professor Departments of Biophysics and Biochemistry University of Texas Southwestern Medical Center 5323 Harry Hines Blvd. Rm. ND10.214A Dallas, TX 75390-8816 diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu> (214) 645-6383 (phone) (214) 645-6353 (fax) On Aug 2, 2018, at 9:00 AM, Mark J. van Raaij <mjvanra...@cnb.csic.es<mailto:mjvanra...@cnb.csic.es>> wrote: 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 Raaij CNB-CSIC wwwuser.csic.es/~mjvanraaij<http://wwwuser.csic.es/~mjvanraaij> Mark J van Raaij CNB-CSIC wwwuser.csic.es/~mjvanraaij<http://wwwuser.csic.es/~mjvanraaij> -------- Original message -------- From: Kristof Van Hecke <kristofrg.vanhe...@gmail.com<mailto:kristofrg.vanhe...@gmail.com>> Date: 02/08/2018 14:53 (GMT+01:00) To: CCP4BB@JISCMAIL.AC.UK<mailto: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 ________________________________ UT Southwestern Medical Center The future of medicine, today. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
