I don't see a real problem, you seem to be doing the right thing. Check out the Molprobity server and see what it suggests to improve on your structure. You could run pointless to verify that P42 is the true space group but looking at your ∆Rfactor of 6% you likely have the right solution. Do you have one monomer with eight domains in the asu our do you have more than one copy? If so then identify the regions which follow NCS and apply them.
Jürgen On Feb 19, 2012, at 1:38 PM, Muhammed bashir Khan wrote: Dear all; I have a structure at 3.3A resolution of about 140kDa protein containing eight domains, in tetragonal space group.I also have the structure of most of the individual domains.I almost refined the structure in all the possible space groups, the best space group at the moment are the P42 with the R/Rfree of 32 and 38%. Could somebody suggest what else I should try to to get better R/Rfree values. I am using Phenix for refinment. Regarding the protein it contain quite flexible domains. Thanks in advance for your suggestions. Regards, Bashir -- Muhammad Bashir Khan ************************************************** Department for Structural and Computational Biology Max F. Perutz Laboratories University of Vienna Campus Vienna Biocenter 5 A-1030 Vienna Austria Austria Phone: +43(1)427752224 Fax: +43(1)42779522 ...................... Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Office: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955-2926 http://web.mac.com/bosch_lab/
