[ccp4bb] Crystal structure and NMR structure

Dear all, I would like to get some information on proteins where there is conformation/structural change between the crystal structure and solution structure of the same protein. Do anybody came across such situations? Thanks in advance.. cheers, Vandu

Re: [ccp4bb] Twinning, Wilson scaling and B factor

Thanks Ian, I understood now. Great lesson for me. Best regards Fulvio Saccoccia Il giorno ven, 20/05/2011 alle 18.14 +0100, Ian Tickle ha scritto: The true values of the components of the twin can't in general be equal since they come from _different_ reflections that are unrelated by

Re: [ccp4bb] how to remove part of data with bad signal to noise ratio

Thank you all for your thoughts and suggestions in response to my query. The rotamers, peptide omega angles, mol-probity data all are perfectly fine. There are 3 outliers in Ramachandran plot ( may be the ones causing the problem). The protein has two engineered cysteines involved in

Re: [ccp4bb] problem with LIBCHECK

Dear Geoff Perhaps you could try jligand available from: http://www.ysbl.york.ac.uk/mxstat/JLigand/index.html There are few tutorials how to deal with ligands and links. I hope it helps Cheers Garib On 20 May 2011, at 21:59, Geoffrey Feld wrote: Greetings fellow Crystallographers, I'm

Re: [ccp4bb] how to remove part of data with bad signal to noise ratio

I would also make sure that the spacegroup is correct. If you have instead P222, P2212, etc, you might find the solution at low resolution but the problem would become evident during advanced refinement steps, such as a stuck high Rfree or a noisy difference map. Good luck, Javier. On Sat, May