Re: [ccp4bb] ITC data clarification.

2017-12-08 Thread Wim Burmeister
Hello, only a test of the biological function of mutants will tell whether your interface is an artefact or not. It is very well possible that an alanine mutations increases binding; you have to inspect the interface carefully whether there were for example buried hydrogen donors or

Re: [ccp4bb] covalent bond

2017-12-08 Thread Andres Libreros
Thanks Eleanor, John and Nigel for your tips. Actually it seems to be a problem of geometry restraints. Nigel, let me edit the .def file as John recommended and then I'll contact you. Best regards Gerardo Andrés Libreros Laboratório de Biologia Estrutural Aplicada Universidade de São Paulo

[ccp4bb] Non crystallography question

2017-12-08 Thread Vands
Hi All, Is there any Web server available where I can input my SAXS profile and it will give all closely matched PDB structures from the all available PDB. -- Vandna Kukshal Postdoctral Research Associate Dept. Biochemistry and Molecular Biophysics Washington University School of

[ccp4bb] off topic: Add ligands/substrate directly into expression medium?

2017-12-08 Thread Liuqing Chen
Hello everyone! In which condition can we add ligand/substrate directly to the expression medium for overexpression protein? One protein of i crystallized is a enzyme that catalyze sterols substrate, as we know the solubility of sterols is very poor, and the Km of the enzyme towards sterols

Re: [ccp4bb] Non crystallography question

2017-12-08 Thread Vands
Yes thank you very much .. I used it two years back and just blanked out. :) -Vandna On Fri, Dec 8, 2017 at 3:55 PM, amin sagar wrote: > Seems like you are looking for something like DARA. > > https://dara.embl-hamburg.de/ > > -Amin. > > On Sat, 9 Dec 2017 at 3:21 AM,

Re: [ccp4bb] Non crystallography question

2017-12-08 Thread Parthasarathy Sampathkumar
Hi Vandna, A typical approach would be to generate different models (experimental or otherwise, if X-ray structure it could be "completed" further by modeling missing loops / side-chains) of your sequence to calculate a SAXS profile, and then compare / fit those to experimental SAXS profile. Some

Re: [ccp4bb] Non crystallography question

2017-12-08 Thread amin sagar
Seems like you are looking for something like DARA. https://dara.embl-hamburg.de/ -Amin. On Sat, 9 Dec 2017 at 3:21 AM, Vands wrote: > Hi All, >Is there any Web server available where I can input my SAXS > profile and it will give all closely matched PDB