Dear Madam, All the data set have the similar cell dimensions. The only difference I observe is that the data which gives solution in C2 space group has the cell dimensions as a=140, b=80, *c=202*, alpha=beta=gamma=90.
We tried processing other data in C2 space group (forcefully) with cell dimensions as a=140, b=80, *c=212*, alpha=beta=gamma=90.However, we do not find solution with these data, including the one with no twinning. We do find solution in P3 ( a=b=80, c=212, alpha=beta=90 and gamma=120) with Rw/Rf with 26/31, but it can not be refined further. Please let me know if you need any other information in this regard. Thanking you. With best regards, Suraj On Fri, Dec 11, 2020 at 5:08 PM Eleanor Dodson <[email protected]> wrote: > 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 >> > -- *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 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/
