Re: [ccp4bb] Molecular replacement question

2010-09-23 Thread zhang yu
Maybe there is a domain shift of your protein compared to the model. If this is the case, try to do the MP with successive domains. 2010/9/13 Paul Holland > Hello fellow crystallographers, > > I am trying molecular replacement for a protein crystal dataset that has > very high sequence similarit

Re: [ccp4bb] Molecular replacement question

2010-09-17 Thread Donnie Berkholz
On 09:50 Tue 14 Sep , Dirk Kostrewa wrote: > I would spend some time in improving the search model, first. If there > are more than one possible search molecules in the PDB, I usually do a > structural alignment (ssm superposition) to get an idea about the > flexibility of the search molecul

Re: [ccp4bb] Molecular replacement question

2010-09-14 Thread xaravich ivan
Two questions. What is the resolution of your data? what is the percentage sequence identity? even if you are confident of C2, try using PHASER with all space groups and searching for 2-4 monomers. Ivan On Mon, Sep 13, 2010 at 7:52 AM, Paul Holland wrote: > Hello fellow crystallographers, > >

Re: [ccp4bb] Molecular replacement question

2010-09-14 Thread Dirk Kostrewa
Dear Paul Holland, I would spend some time in improving the search model, first. If there are more than one possible search molecules in the PDB, I usually do a structural alignment (ssm superposition) to get an idea about the flexibility of the search molecules. Then I remove all parts that

Re: [ccp4bb] Molecular replacement question

2010-09-13 Thread Maia Cherney
Try balbes from G. Murshudov's website. It will find proper search model and use proper truncations automatically. In addition, it will put in your sequence. Paul Holland wrote: Hello fellow crystallographers, I am trying molecular replacement for a protein crystal dataset that has very high

Re: [ccp4bb] Molecular replacement question

2010-09-13 Thread Roger Rowlett
Here is how I would approach this: Use Phaser to search with monomers, or dimers if you suspect that the biological unit is composed of dimers and have reasonable guess at a dimer search model. Also consider searching with N- and C-terminal truncated search models. Sometimes a waywar

Re: [ccp4bb] Molecular replacement question

2010-09-13 Thread Ed Pozharski
On Mon, 2010-09-13 at 15:52 +0100, Paul Holland wrote: > that has very high sequence similarity to the search model How high exactly? -- "I'd jump in myself, if I weren't so good at whistling." Julian, King of Lemurs

Re: [ccp4bb] Molecular replacement question

2010-09-13 Thread Eleanor Dodson
Does your model structure form a dimer? Maybe best to search with that model.. eleanor Paul Holland wrote: Hello fellow crystallographers, I am trying molecular replacement for a protein crystal dataset that has very high sequence similarity to the search model with several predicted flexibl

[ccp4bb] Molecular replacement question

2010-09-13 Thread Paul Holland
Hello fellow crystallographers, I am trying molecular replacement for a protein crystal dataset that has very high sequence similarity to the search model with several predicted flexible loop regions; however, all attempts at finding a solution have not produce very ideal starting solutions usi