Re: [ccp4bb] Molecular Replacement model preparation

2014-10-07 Thread Randy Read
Dear Scott, By “AND” searching, presumably you mean adding another SEARCH command? (Or clicking “Add another search” in the ccp4i interface.) For Steven’s strategy, you want to specify separate searches for separate ensembles, i.e. give several SEARCH commands in a script or add extra searches

Re: [ccp4bb] Molecular Replacement model preparation

2014-10-07 Thread Scott Thomas Walsh
Hi Steven, Thank you for the information and guidance. When you search for all the ensembles with Phaser do you use “AND” or “OR” searching? Cheers, Scott While Phil Jeffrey attributed to me the “trick” of aligning the hinge axis of an Fab along the Z direction, I, in turn, must give credit

Re: [ccp4bb] Molecular Replacement model preparation

2014-10-07 Thread Sheriff, Steven
All: While Phil Jeffrey attributed to me the "trick" of aligning the hinge axis of an Fab along the Z direction, I, in turn, must give credit to Mirek Cygler, who explained this to me at the Diffraction Methods in Molecular Biology [now Structural Biology] Gordon Research Conference in 1986.

Re: [ccp4bb] Molecular Replacement model preparation

2014-10-06 Thread Scott Thomas Walsh
Hi Phil, Thank you for the input. I would like to get CCP4ers input. I deal with multiple domain cytokine receptors in a manner very similar to antibody molecules. Have people have more correct solutions searching for 1 domain sequentially and then other domains OR searching for multiple doma

Re: [ccp4bb] Molecular Replacement model preparation

2014-10-06 Thread Phil Jeffrey
That document is fairly old and is in dire need of revision to reflect the modern arsenal of programs. Nevertheless: Putting the hinge axis along Z was a trick told to me by Steven Sheriff back in the days when we worked on Fab structures - which after all are classical examples of hinged mole

Re: [ccp4bb] Molecular Replacement model preparation

2014-10-05 Thread David Schuller
Since there is a hinge, you could try searching with the two domains separately. On 10/05/14 03:34, Luzuokun wrote: Dear all, I’m doing molecular replacement using Phaser. My protein is predicted to have two domain with a “hinge” linking them. The model sequence identity is 0.27. But the MR r

[ccp4bb] Molecular Replacement model preparation

2014-10-05 Thread Luzuokun
Dear all, I’m doing molecular replacement using Phaser. My protein is predicted to have two domain with a “hinge” linking them. The model sequence identity is 0.27. But the MR result is poor. I’ve tried other programme (Molrep, MrBump, Balbes,,,_.) But no improvement was observed. I thin