Sir, Ok. Thank you I was unaware of this alternative indexing. But I used the same processed data from mosflm for both. Only while scaling I chose the native Rfree set.
Thank you Regards KAvya > could be a case of alternative indexing - some spacegroups allow more than one indexing scheme and the data processing program may have chosen different ones in your case. > (not sure if this is the case for H3, I know it is for P321 because I have experienced it...) > > On 3 May 2013, at 10:07, Kavyashree Manjunath wrote: > >> Dear users, >> >> I wanted a small clarification, I was solving a ligand data >> in H3 space group with a dimer as the asymmetric unit. >> >> Initially, I had solved and refined this without using the >> same Rfree reflections as that of native data. So I resolved >> and refined the same data by considering the native Rfree >> reflections. In both the cases after the final refinement, >> the R and Rfree had reasonably good values. >> >> The problem arose when I compared the maps of data - >> (1) solved without same Rfree as that of native and >> (2) solved with same Rfree as that of the native >> >> They did not superpose at all. How is this possible? Although >> it is originally the same data and in each case the map traced >> the molecule very well, but when both maps are opened in coot >> they do not superpose at all. >> >> I would like to mention that the data has a pseudo translation >> symmetry with 17% peak. Is this responsible for the results I am getting? >> >> I hope one day there will be a program in CCP4 called "EFFORTLESS" which gives a structure from a given sequence!! :) >> >> Thanking you >> Regards >> Kavya >> >> >> -- >> This message has been scanned for viruses and >> dangerous content by MailScanner, and is >> believed to be clean. > > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
