Re: [ccp4bb] A grumble

2019-11-10 Thread Ivan Shabalin
Dear All, I would like to add my 5 cents to partly answer Eugene's questions about the script, and to follow up on Eleonor's mentioning of Zbsyzek and the rules for placing macromolecular structures in the crystal lattice. For the last couple of years, we have been routinely using the ACHESYM

Re: [ccp4bb] A grumble

2019-11-10 Thread Eleanor Dodson
Especially Frank.. Of course the grumble does not mean either deposition is "wrong" - both are completely valid.. However at deposition there are certain tidying functions which may help people who want to use the structures. I absolutely agree with Zbysek (as always!) - it helps if structures ar

Re: [ccp4bb] A grumble

2019-11-10 Thread Martin Noble
So does the CCP4 program csymmatch Best wishes, Martin On 10 Nov 2019, at 16:55, R. D. Oeffner mailto:rd...@cam.ac.uk>> wrote: The program phenix.famos (or phenix.find_alt_orig_sym_mate) does exactly that for a pair of pdb files. Robert From: Eugene Osipov Sent: Sunday, November 10, 2019 11:

Re: [ccp4bb] A grumble

2019-11-10 Thread R. D. Oeffner
The program phenix.famos (or phenix.find_alt_orig_sym_mate) does exactly that for a pair of pdb files. Robert From: Eugene Osipov Sent: Sunday, November 10, 2019 11:49 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] A grumble By the way, may be someone has a script to move several isomorpho

Re: [ccp4bb] Fwd: [ccp4bb] suggestions on small proteins that for a complex

2019-11-10 Thread Artem Evdokimov
FliS and FliC Artem On Sun, Nov 10, 2019, 03:42 Gianluca Cioci wrote: > ps: the 3D structure > of the complex should > be solved at high resolution > > ;o) > > > > > Dear All, > > I am looking for examples of two small proteins A and B that can form a > tight complex AB. > Each protein should

Re: [ccp4bb] A grumble

2019-11-10 Thread Hinrichs, Winfried
There was a paper/comment in Acta Cryst  by Zbigniew Dauter "the asymmetric unit should be close to the origin". The uncomfortable source is most probably that the result of a molecular replacement is sometimes an asymmetric unit "elsewhere" , origin shifts etc. Nice weekend Winfr

Re: [ccp4bb] A grumble

2019-11-10 Thread Frank Von Delft
Eleanor, whom are you grumbling at? If it's at the depositors, here's a counter-grumble: How would a depositor even know * know that it's "wrong" * know what definition of "wrong" to work towards * know that someone somewhere will care about this particular "wrongness" * kno

Re: [ccp4bb] A grumble

2019-11-10 Thread Eugene Osipov
Dear Eleanor, >From PDB files I see that the structures were solved by molecular replacement using pdbid 1gci as a starting model. It is hard to say definitely without the linked paper but may be the depositors made the same error that I did some time ago: they solved both structures using molecul

[ccp4bb] Fwd: [ccp4bb] suggestions on small proteins that for a complex

2019-11-10 Thread Gianluca Cioci
ps: the 3D structure of the complex should be solved at high resolution ;o) Dear All, I am looking for examples of two small proteins A and B that can form a tight complex AB. Each protein should be straightforward to express in E.coli, well folded and stable in the isolated form. Also, if

[ccp4bb] suggestions on small proteins that for a complex

2019-11-10 Thread Gianluca Cioci
Dear All, I am looking for examples of two small proteins A and B that can form a tight complex AB. Each protein should be straightforward to express in E.coli, well folded and stable in the isolated form. Also, if possible, I would prefer monomeric proteins (although not really mandatory). I