It looks as if you have a and b about the same length. In that case indexing of the patterns may randomly switch h and k. The CCP4 program Pointless (in ccp4i Data reduction -> Symmetry, Scale, Merge (aimless) or Find or Match Laue group). Give your 1st dataset as the reference.
Phil On 30 Dec 2014, at 06:04, Thyageshwar Chandran <[email protected]> wrote: > Dear all, > I have a query regarding the interchanging of axis ! > > My native crystals are orthorhombic (P21212), and i did soaking with > different ligands, after solving the structures when i compared the unit > cell, the orientation of the molecule was different in three cases (90 degree > rotation), hence had to interchange a and b for them (changed it in SF h=k, > k=h) , my query is thought the conditions were similar in all the cases, how > come only in the said cases the change occurred! i wonder if i am doing the > correct thing by interchanging the axis....please advice and let me know if > you had come across similar such cases.... > > i had attached the figure for clarity ( i am talking about the last three > cases) > > many thanks > > regards, > thii > > On 28 December 2014 at 12:18, <Thii> <[email protected]> wrote: > Dear all, > I have a query regarding the interchanging of axis ! > > My native crystals are orthorhombic (P21212), and i did soaking with > different ligands, after solving the structures when i compared the unit > cell, the orientation of the molecule was different in three cases (90 degree > rotation), hence had to interchange a and b for them (changed it in SF h=k, > k=h) , my query is thought the conditions were similar in all the cases, how > come only in the said cases the change occurred! i wonder if i am doing the > correct thing by interchanging the axis....please advice and let me know if > you had come across similar such cases.... > > > many thanks > > regards, > thii > > > > > -- > "When we long for life without difficulties, remind us that oaks grow strong > in contrary winds and diamonds are made under pressure." > <combined-all-picture.png>
