Re: [ccp4bb] ROSETTA for MR model generation

2010-08-25 Thread Peter Grey
Hi Kornelius, A possible solution at this resolution would be to use Arcimboldo which localizes model fragments such as small helices with Phaser and then does density modification with SHELXE. See: Nature Methods 6:651-3. "Crystallographic ab initio protein structure solution below atomic resolu

Re: [ccp4bb] ROSETTA for MR model generation

2010-08-25 Thread Eike Schulz
Hello Kornelius, In 2 or 3 cases I successfully used a homology model for molecular replacement using a model generated from the PHYRE server http://www.sbg.bio.ic.ac.uk/~phyre/. I know it is not the same as ROSETTA but if there is some sequence homology you might be lucky... Best regards Eike

Re: [ccp4bb] ROSETTA for MR model generation

2010-08-25 Thread Francois Berenger
Hello, I know at least the following papers on this topic: --- "High resolution protein structure prediction and the crystallographic phase problem" http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504711/ "Prospects for de novo phasing with de novo protein models" http://www.ncbi.nlm.nih.gov/pmc/

[ccp4bb] ROSETTA for MR model generation

2010-08-25 Thread Kornelius Zeth
Dear all, I was wondering if anybody has used the ROSETTA software to generate a MR model that could subsequently being used successfully for a MR solution case. The sequence of the protein we work with is relatively small, ~ 85 residues. Crystallization is not very reproducible. Resolution is