With that translational vector the data set is approximately I centred. If you integrate it in I centred lattice then you must consider space groups I 4 or I41.
In point P4 you might need to consider SGs P4, P41, P42, P43 Eleanor On 1 July 2013 11:19, rajakumara eerappa <reera...@gmail.com> wrote: > Dear Fulvio Saccoccia > > As you suspected it might be I4 instead of P4. > > Since fractional coordinates are (0.5, 0.5, 0.479) and, 0.479 is almost > 0.5. > > Try to integrate and scale in I4 and see how chi-square behaves. > > Raj > > > > > On Fri, Jun 7, 2013 at 11:17 AM, Fulvio Saccoccia < > fulvio.saccoc...@uniroma1.it> wrote: > >> Dear ccp4bb users, >> I have a data set collected at 2.2A resolution that I can integrate >> in P4. Aimless, Phaser and Xtriage recognized a pseudotranslation (34.6% >> of origin peak) at fractional coordinates 0.500 0.500 0.479 (ORTH 46.7 >> 46.7 37.4). However labelit.index run with sublattice_allow=true search >> did not detect the pseudotranslation vector. So far, any attempts to phase >> by molecular replacement was unsuccesfull and I suspect that it could be >> due to incorrect assignement of space group: >> >> Now, some questions arise: >> 1) does the pseudo translation exist or do not? >> 2) if translational NCS is present, could it mimic a P41/P42/P43 space >> group? >> 3) in any case, any advices in order to properly deal with tNCS will be >> of great help? >> >> I thank you in advance >> Best wishes >> >> -- >> Fulvio Saccoccia, PhD >> Sapienza University of Rome >> Dept. of Biochemical Sciences "A. Rossi Fanelli" >> Piazzale Aldo Moro, 5 >> 00185 Rome (Italy) >> > >
