I suspect most (if not all) refinement software now have a nice way to deal
with NCS in refinement locally. Technically, this means you can use NCS
restraints at any resolution and software should be able to be careful and
not wipe out local differences between NCS copies. In phenix.refine this is
Dear all,
On Mon, Apr 24, 2017 at 08:15:57AM +, Bert Van-Den-Berg wrote:
> Not quite sure what you mean but I suppose you refined with NCS
> restraints and the red bar means that your chains in those regions
> are not identical. I would turn NCS restraints off during
> refinement, with your re
some manual tweaking
in those regions with red NCS bars.
Bert
From: CCP4 bulletin board on behalf of Vipul Panchal
Sent: 24 April 2017 09:10
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] NCS difference
I am not from any structure biology related group. So I
t; *Vipul Panchal
> *Gesendet:* Montag, 24. April 2017 09:49
> *An:* CCP4BB@JISCMAIL.AC.UK
> *Betreff:* [ccp4bb] NCS difference
>
>
>
> Hi all,
>
>
>
> I am solving structure of one of the acyltransferse protein. We have
> collected data at 2.16A resolution. Curren
I am not from any structure biology related group. So I have followed
literatures​ for the structure solution and analysis. At this level all
stereochemical and geometry looks good. The only parameter I could see with
some red bar was NCS difference.
*Through literature, I couldn't understand if so
: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] NCS difference
Hi all,
I am solving structure of one of the acyltransferse protein. We have collected
data at 2.16A resolution. Currently the Rfree is 0.2508 and Rwork is 0.2042.
My query is regarding NCS difference. Under validation tool of coot while
Minimizing a red bar may be tricky.. Have you tried to make it less red
(blue or may be green)? Otherwise Rw/Rf~20/25 is just fine at 2.2A
resolution. What exactly your worry is about?
Pavel
On Mon, Apr 24, 2017 at 12:48 AM, Vipul Panchal
wrote:
> Hi all,
>
> I am solving structure of one of the
Hi all,
I am solving structure of one of the acyltransferse protein. We have
collected data at 2.16A resolution. Currently the Rfree is 0.2508 and Rwork
is 0.2042.
*My query is regarding NCS difference.* Under validation tool of coot while
looking for NCS differene, i can find some residues with
