Re: [ccp4bb] Off topic - modeling multi-domain protein

2015-05-12 Thread Tanner, John J.
This seems like a good problem for SAXS rigid body modeling. We previously used an approach based on docking models into SAXS envelopes with the constraint of 2-fold symmetry, followed by scoring the dimer models using the goodness of fit to the experimental curve (1). Another approach would

Re: [ccp4bb] Off topic - modeling multi-domain protein

2015-05-11 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Xiao, you would probably get started with molecular replacement to place one domain after the other. Once you solved the structure you can use external restraints to the known structures. If your resolution is decent and the domains are not disor

[ccp4bb] Off topic - modeling multi-domain protein

2015-05-11 Thread Victor Xiao
Dear all, I am trying to model a full-length double-domain protein in dimer. The structure of both N and C terminal domains are known and the linker region of 5 residues are present in both structure (the linker might be flexible though). The N-terminal domain's structure is also a dimer, which ca