Re: [ccp4bb] MolRep of coiled coils

2008-03-28 Thread James Holton
MR on CCs is generally a pain. The problem is that sliding any CC along its own supertwist (say by one heptad) will give you a solution that lines up very well with the "right" model. There are a lot of solutions of this type, so you basically have a multitude of models that are all "okay" an

Re: [ccp4bb] MolRep of coiled coils

2008-03-28 Thread Das, Debanu
ation Laboratory, Menlo Park, CA. -Original Message- From: CCP4 bulletin board on behalf of Thomas Edwards Sent: Fri 3/28/2008 5:57 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] MolRep of coiled coils Dear BB, I am attempting molecular replacement with a 2.8A data set from crystals of a coiled

Re: [ccp4bb] MolRep of coiled coils

2008-03-28 Thread M T
My short experience with coiled-coil is that molecular replacement can be difficult for "classical software" (due to the very anysotropic shape of the protein). In our case (a short parallel dimeric coiled-coil), molecular replacement trials using AMoRe or MOLREP were unsuccessful. We solved the st

Re: [ccp4bb] MolRep of coiled coils

2008-03-28 Thread Thomas Edwards
Sorry - I should have added that, yes, there are 2 identical peptide chains that should be parallel coiled-coil. Any advice gratefully received. Ed -Original Message- From: cockburn [mailto:[EMAIL PROTECTED] Sent: Fri 3/28/2008 1:35 PM To: Thomas Edwards Subject: Re: [ccp4bb] MolRep of

[ccp4bb] MolRep of coiled coils

2008-03-28 Thread Thomas Edwards
Dear BB, I am attempting molecular replacement with a 2.8A data set from crystals of a coiled coil of about 150 residues. Probably p21212 but maybe p2221. So far, Phaser, MolRep, Amore, Mr Bump, have not provided a good solution as judged by Z-scores, CCs, Rfactors, and whether there is any den