Suspect most people would be looking for painless though I would
guess that should be a program to tell you the right crystallization
conditions...
On 3 May 2013 00:15, Jacob Keller j-kell...@fsm.northwestern.edu wrote:
Nevertheless?
JPK
On Thu, May 2, 2013 at 2:18 PM, Roger Rowlett
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
Dear Kavya,
There used to be a chaos with H3 and R3 settings so you first thing you might
want to check that the same setting is used in both cases. Easiest would be to
check the CRYST1 record in your pdb files to make sure that the same cell is
used.
If you did not start for the second data
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
Dear Sir,
There used to be a chaos with H3 and R3 settings so you first thing you
might want to check that the same setting is used in both cases. Easiest
would be to check the CRYST1 record in your pdb files to make sure that
the same cell is used.
I check it, the unit cell dimensions are
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You knowe there are alternative indexing for H3 - you couldnt have solved
one as h k l and the other as k h -l?
And alternate origins - H3 is a polar spacegroup so if you redid the
molecular replacement you may finish up anywhere along the c axis..
Easiest is to do a superpose of both sets of
Respected Mam,
The molecule is not along the C axis. I opened both these
molecules along with the pseudo-translation peak generated
by patterson function, it could be observed that the origin
of the one of the dimer corresponded to the 2nd peak (pseudo
translation) peak.
So I guess this is due
