Re: [ccp4bb] How to find the unfound part of a big protein

2014-02-14 Thread Eleanor Dodson
The very best advice is: get better data if at all possible. Things are much easier and more informative at 3A than at 4.2A and even better at 2.5A. There are various tricks which might help improve diffraction.. But if you are stuck then: The partial MR phases are very useful for checking your

Re: [ccp4bb] How to find the unfound part of a big protein

2014-02-14 Thread Guenter Fritz
Dear Sun, I had a similar problem. If you have a good TaBr dataset this should give you good phases. You can combine the TaBr phases and Molrepl phases in SHARP. What worked in my hands very well and is easy to do: SAD using Phaser and the partial Mol Repl Model. You find here a input file f

Re: [ccp4bb] How to find the unfound part of a big protein

2014-02-13 Thread Francis Reyes
On Feb 13, 2014, at 4:53 PM, Sun Bingfa wrote: > Now we have dataset to ~4.2 Angstrom and using extracellular homolog > structure we can find a solution for this part(~45% of the whole molecule MW) > through molecular replacement, and the molecules are packed as layers, and > the other part ar

Re: [ccp4bb] How to find the unfound part of a big protein

2014-02-13 Thread Bosch, Juergen
Hi Bingfa, first suggestion would be to process your data with the anomalous flag turned on - just in case you happen to have some metal bound coincidentally and you happen to have collected at a decent wavelength to pickup some anomalous scattering. ~30% of proteins in the PDB have a metal bo

[ccp4bb] How to find the unfound part of a big protein

2014-02-13 Thread Sun Bingfa
Dear Crystallographers, I'm working on a ~90KDa membrane protein, with big extracellular part, probably function as dimer. Now we have dataset to ~4.2 Angstrom and using extracellular homolog structure we can find a solution for this part(~45% of the whole molecule MW) through molecular replacemen