Do all data sets have similar cell dimensions. P3i can be indexed in a variety of ways, (h k l ) (k,h,-l) etc - refer to documentation on reindexing..
- All *P3i* and *R3*: (h,k,l) *not* equivalent to (-h,-k,l) *or* (k,h,-l) or (-k,-h,-l) so we need to check all 4 possibilities: So can you merge the data sets? The data processing task can do that I think. Check index conventions then treat each data set as a "run" and see how well they ageee. Eleanor On Fri, 11 Dec 2020 at 11:18, Suraj Kumar mandal <[email protected]> wrote: > Dear All, > > We are trying to solve a structure of a protein, for which we have > collected five different home source data at 3.2-3.5 Ang resolution. We are > processing the data using iMOSFLM and the program suggests P3 (and related) > space groups for all the data. We are able to get a solution with one data > (twinned) in C2 space group with Rw/Rf of 26/28%. However, the same > solution can not be obtained using other four data. Interestingly, one of > these four data is not twinned. The only common thing in these four data, I > find, is that they are crystallized in the same crystallization condition, > whereas, the data which gives solution is crystallized in another condition. > > The template has 69% sequence identity with the target protein. > > Any suggestion to troubleshoot this would be appreciated. > > With best regards, > Suraj > > -- > *Suraj Kr. Mandal* > Research Scholar > Structural and Computational Biology Lab > Department of Biosciences and Bioengineering > Indian Institute of Technology (IIT), Guwahati > Guwahati, Assam 781039 > Ph.: 09678244566 > E.mail: [email protected] > [email protected] > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## 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/
