--Ursprüngliche Nachricht-
> Von: CCP4 bulletin board Im Auftrag von Abhishek Anan
> Gesendet: Sonntag, 26. April 2020 21:42
> An: CCP4BB@JISCMAIL.AC.UK
> Betreff: [EXTERNAL] Re: [ccp4bb] modelling MET (methionine) and SME
> (met-sulfoxide)
>
> EXTERNAL : Real sender is
Gesendet: Sonntag, 26. April 2020 21:42
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] Re: [ccp4bb] modelling MET (methionine) and SME
(met-sulfoxide)
EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk
Dear all,
Thanks for the suggestions. It is synthetic peptide so the residue identity is
Occupancy.
On Sunday, 26 April 2020, 20:41:49 BST, Abhishek Anan
wrote:
Dear all,
Thanks for the suggestions. It is synthetic peptide so the residue
identity is unambiguous.
I am not clear on how to model both MET and SME in coot, do a real
space refinement and then save the file for
Dear all,
Thanks for the suggestions. It is synthetic peptide so the residue
identity is unambiguous.
I am not clear on how to model both MET and SME in coot, do a real
space refinement and then save the file for refinement in phenix. I
tried alternate conformation and then mutating one of them b
> On 26/04/2020 16:21, Abhishek Anan wrote:
> > Dear all,
> >
> > I have a peptide crystal structure at 0.97 Å that contains two surface
> > exposed Methionine. The CE atoms of both MET have a suspiciously high
> > b-factor >40 and a positive density. In addition, the sulfur atom SD
> > has a large
On 26/04/2020 16:21, Abhishek Anan wrote:
Dear all,
I have a peptide crystal structure at 0.97 Å that contains two surface
exposed Methionine. The CE atoms of both MET have a suspiciously high
b-factor >40 and a positive density. In addition, the sulfur atom SD
has a large negative density (b-fa
Dear all,
I have a peptide crystal structure at 0.97 Å that contains two surface
exposed Methionine. The CE atoms of both MET have a suspiciously high
b-factor >40 and a positive density. In addition, the sulfur atom SD
has a large negative density (b-factor ~23).
I initially suspected that the M
