On Wednesday, 02 October, 2013 17:31:06 wtempel wrote:
> Tim,
> I agree with your statement.
> Consider this situation:
> Macromolecular sample MA produces crystal CA. Data scale well in C2221 and
> refinement proceeds smoothly to give stuctural model SA.
> Slightly modified macromolecular sample M
Dear W.,
If you really want to do a comparison on the Rfree, the only way would be to
start off how described by Tim, i.e., rescaling your images to create a P21 mtz
and then further reducing them to create a second higher symmetry C2221 mtz.
Then you could create a set of Rfree flags for one
Tim,
I agree with your statement.
Consider this situation:
Macromolecular sample MA produces crystal CA. Data scale well in C2221 and
refinement proceeds smoothly to give stuctural model SA.
Slightly modified macromolecular sample MA* crystallizes to yield crystal
CA*. Data scale well in C2221 with
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Dear W.,
if P21 is a proper subgroup of C2221, scaling a P21 data set in C2221
would try to make non-equivalent reflections equal, would it not? I
would reintegrate the data in the correct point group and scale in the
correct space group.
Best,
Tim
Hello Appu and Boaz,
my suspicion arises from failure to refine (as in reducing crystallographic
R-factor from the 40%s) a related, virtually isomorphous crystal structure
in the original C2221 setting. Scaling statistics are very nice even in
C2221. If I drop the symmetry to P21, the R-factor drop
Just wondering: what's the justification for this exercise? Aren't the two lattices sampling the molecular transform differently even though there is a transformation relating them? Wouldn't it be more correct to select a different R free set for the p21 cell?
Boaz
הודעה מקורית -
Thanks, Randy.
Molrep must be failing due to some other flaw in my procedure, as it
clearly uses the P21 cell, as evidenced by the output CRYST1 and ViewHKL in
qtRView of ccp4i.
Can you suggest any alternative procedures that would expand that
C-centered data set into the primitive setting?
W.
---
How do you suspect that C2221 is 'pseudo' and P21 is 'real'? You can use
the reindex programme incorporated in ccp4 suit. Reindex programme can
expand symmetry from C2221 to P21.I Hope you will get the result.
Thank you
Appu
On 2 October 2013 21:43, wtempel wrote:
> Hello,
> I would like to exp
Hi Fellows,
please allow me this OT posting I would kindly ask to be continued by
interested parties off-board.
Summary: I am having serious trouble with my web hosting provider.
Problem: My ruppweb/hofkristallamt site which has to a degree become a
community resource
is hosted on a windows NT s
I suspect the problem is that sftools hasn't been modernised to alter all the
cell dimension records used in current MTZ files. I can't remember right now
but maybe the DCELL command in cad might fix it.
Randy Read
Randy J. Read
> On 2 Oct 2013, at 17:13, wtempel wrote:
>
> Hello,
> I
Hello,
I would like to expand a reflection data set in mtz format from C2221 to
P21. The purpose is to obtain consistent R-free flags based on a structure
already refined in C2221 for a related data set that I suspect is
pseudo-C2221 but "real" P21.
Primitive cell dimensions are: 37.6 126.1 40.61
Dear Wei,
doesnt sound too special to me. DNA in itself is a very soluble
molecule. The part which hangs out of
the core complex drives solubility of the whole thing.
As a drawback crystallizability may also go down...
All the best,
Matthias
-
Dr. Mat
Dear CCP4er,
I have an interesting observation for one of my DNA binding protein--when the
length of DNA flanking both DNA binding site increase, the solubility of
protein-DNA complex increases. And I can get a nice sigmoid curve from protein
solubility versus DNA length. The solubility of prot
In addition to the posts working on Tat secretion we also have two posts
looking at Notch signalling in Oxford.
I'm reposting the link for the Tat positions as I failed to post that correctly
last week :-)
Notch signalling - With Susan Lea & Penny Handford http://tinyurl.com/pcv5xlq
Tat protein
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