Re: [ccp4bb] Has anyone successfully used RoseTTAFold or AF2 to guide crystallization?

2022-04-04 Thread John R. Walker
It may also be useful to look at homologues of the protein of interest, as
sometimes Alphafold shows very different domain arrangements despite close
sequence similarity.

John

On Mon, Apr 4, 2022 at 3:17 PM Andrew Lovering 
wrote:

> Hi Scott
> We have obtained a structure of a flexible clamshell like fold only after
> using a disulphide mutant to lock the domains based on a Rosetta Fold model.
> Interestingly, Alphafold put the very same residues further apart
> (probably a relevant "open" pose)
>
> Andy
>
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Re: [ccp4bb] AW: [ccp4bb] A "funny" thing related to AlphaFold2 ....

2021-08-27 Thread John R. Walker
I just change MODEL 0 to MODEL 1 then it works fine.

John

On Fri, Aug 27, 2021 at 11:03 AM Schreuder, Herman /DE <
herman.schreu...@sanofi.com> wrote:

> Dear Nick,
>
>
>
> I had just looked at a pdb downloaded from the alphafold server without
> problems. However, then I realized that I had looked at the alphafold model
> after I had it superimposed on my own structure. Loading the alphafoldmodel
> directly in coot failed for me as well.
>
>
>
> By looking into the pdb file, I discovered that the alphafold file has a
> “MODEL” record just before the coordinates and an “ENDMDL” record after the
> coordinates. After deleting these two records, the alphafold pdb loads fine.
>
>
>
> Hope this helps,
>
> Herman
>
>
>
> *Von:* CCP4 bulletin board  *Im Auftrag von *Nicholas
> Keep
> *Gesendet:* Freitag, 27. August 2021 16:51
> *An:* CCP4BB@JISCMAIL.AC.UK
> *Betreff:* Re: [ccp4bb] A "funny" thing related to AlphaFold2 
>
>
>
> Has anyone made use of an Alpha Fold PDB as opposed to CIF.  On the half
> dozen or so I have tried to read into CCP4mg or coot the PDB has always
> failed but the CIF is fine.  I can then write out a PDB if I want.
>
> I could add to the conspiracy theories that this is EBI trying to
> normalise use of CIF format, but I suspect it is something much more
> mundane, that should be addressed.
>
> Best wishes
>
> Nick
>
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[ccp4bb] Cryotools

2011-06-15 Thread John R. Walker
While we are on the subject of tools for crystallography, I wanted to
bring to your attention a nice tool that we use at the SGC to assist
in the harvesting of crystals into Rigaku style pucks. The Quick Puck
Loader is available at 1degreebio.org.

http://www.youtube.com/watch?v=5okdJfi3kFI

John


-- 
John R. Walker, Ph.D.
Structural Genomics Consortium
University of Toronto
Toronto, Ontario
Canada