Dear Rob, at 1.5A resolution, you can comfortably run shelxe. If there is some useful phase information in your solution, this should complete your model, remove model bias and the resulting composition might tell you the proper space group. Rename your PDB-file into 'mymodel.pda' (pda, not pdb), convert the mtz to 'mymodel.hkl' and run shelxe mymodel.pda -a10 -s0.4 (where 0.4 corresponds to 40% solvent model. You don't need to be very accurate).
Good luck, Tim On Mon, 5 Jul 2021 13:54:07 +0000 Robert S Phillips <p...@uga.edu> wrote: > I collected data last week on crystals of tyrosine phenol-lyase > obtained under new conditions. The data have higher resolution than > previous crystals, to 1.5 A. However, I can't get them to index in > any space group but P1. Usually, the space group is P21212. The > self-rotation function is attached. The P1 data will give a > molecular replacement solution, but it does not refine below 0.46. > The P1 asymmetric unit fits a dimer, but the assembly is a tetramer. > In the map, I can see the difference peaks from the other dimer of > the tetramer. What could be causing this problem? > > Rob > > Robert S. Phillips > Professor of Chemistry and of Biochemistry and Molecular Biology > University of Georgia > Athens, GA 30602 > Phone: (706) 542-1996 > Fax: (706) 542-9454 > E-mail: rsphill...@chem.uga.edu > Web: > http://tryptophan.net<https://pod51004.outlook.com/owa/redir.aspx?C=ccbf42ffea5f48b1bf8e9bb950454bab&URL=http%3a%2f%2ftryptophan.net> > > ######################################################################## > > 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/ -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## 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/
pgpz09vrTitnF.pgp
Description: OpenPGP digital signature
