Dear Grace,
There are two ways that you can do this. If you run
POINTLESS/AIMLESS from iMosflm using the “Quickscale” option, you can tell
POINTLESS to use the symmetry set at the indexing stage, using SETTINGS ->
Processing options -> Sort Scale and Merge tab,, select the
Hello all,
I am puzzled by this situation:
I have two different crystal of the same protein, in the presence, one in
the absence of a ligand.
Both structures refine nicely in space group P21.
Cell constants (a,b,c,beta) are (i) 61,124,61,119 (ac by a hair) and (ii)
59,125,61,118. There is a
Wolfram,
Did you solve these structures independently by molecular replacement ?
It sounds like your two solutions might be related by alternative
origins (0,1/2 along a,c). If you translate the second example along
the a axis by -a/2 does it refine with similar R-factors ?
Phil Jeffrey
On Thu, Apr 19, 2012 at 4:28 PM, wtempel wtem...@gmail.com wrote:
I went ahead and explicitly applied that +0.5*a translation. [...] It turns
out that after the origin
shift, some distances between equivalent atoms of the two structures
exceeded 3A
I'd be interested to know if cphasematch
