Well - there will be a ripple, but is it there in the difference map as
well? that is meantto be less affected.
REFMAC5 claims to be able to refine some atoms anisotropically and
that would be a good place to start
Maybe you will need to read the documentation! There is some way of
On Wed, 2007-08-01 at 09:35 +0200, Klemens Wild wrote:
Dear friends of the Fourier transform,
I am refining a structure with 2 adjacent Hg atoms bound to cysteines of
different monomers in the crystal contacts, which means I need to refine
them as well. While the structure nicely refines
Klemens Wild schrieb:
Dear friends of the Fourier transform,
I am refining a structure with 2 adjacent Hg atoms bound to cysteines of
different monomers in the crystal contacts, which means I need to refine
them as well. While the structure nicely refines (2.2 A data), I do not
get rid of
You've most likely looked at this, but if not it might be worthwhile to
check how these ripples behave while varing the low-resolution limit used
(20-2.2,15-2.2, etc).
Pete
Dear friends of the Fourier transform,
I am refining a structure with 2 adjacent Hg atoms bound to cysteines of
Hi Klemens,
As friends of the Fourier transform we hate to see it truncated.
Although others don't think this is your problem I personally think it
very well may be. To get a truncation effect you must first have
truncated your data.
- Is the I/SigI of your highest resolution data in the
Although I would certainly try refining just Hg anisotropically and think
that truncation ripples are very likely, you should also take into account
that mercury derivatives are particularly sensitive to radiation damage.
Often the Hg atoms have departed (but may still be in the vicinity)
