[ccp4bb] AW: [ccp4bb] Problem with R-factor, Completeness, and I/sigma

2013-12-01 Thread Herman . Schreuder
Dear Prem, 90-95% completeness is not great, but definitively acceptable und should not stand in the way of solving your structure by MR. I guess the XDS statistics you mention are from the highest resolution shell? Otherwise they would be bad. To be sure you processed the data correctly, the

[ccp4bb] AW: [ccp4bb] A question on the diffrentiattion of the salt crystal and salt diffraction in the protein metal complex

2013-12-01 Thread Herman . Schreuder
Dear Acoot, if your metal is part of a protein crystal, your diffraction image still looks like the diffraction of a protein crystal. If you see salt spots, your crystal is salt, not protein. However, what sometimes happens is that one has a badly diffracting protein crystals with some tiny sa

Re: [ccp4bb] How it could be possible?

2013-12-01 Thread Klaus Fütterer
Dear Prem, If your protein has 2 domains, it is possible that they their relative orientation is different in your target compared to the search model. Therefore searching with the two domains separately can improve your Z-score in Phaser and give you a better map. However, you did not tell

[ccp4bb] How it could be possible?

2013-12-01 Thread Prem Prakash
Dear All, The density obtained after molecular replacement using phaser at 2.5 Angstrom and then used buccneer for autobuilding of the model. I am not getting reasonable R value (it is 38.5 %) but the figure of merit is 0.629. As My protein has two domains. So is it possible to fragment the indiv

[ccp4bb] A question on the diffrentiattion of the salt crystal and salt diffraction in the protein metal complex

2013-12-01 Thread Acoot Brett
Dear All,   Suppose I have a crystal hit from the protein-metal complex, with the possibility of that the hit is a salt crystal. When I diffract it by X-ray, I got some metal (or salt) diffraction without the protein diffraction (maybe due to too low protein resolution). Will you please tell me

[ccp4bb] Proper format for buccaneer heavy atom file?

2013-12-01 Thread Francis Reyes
Hi all, Is there a special format (residue naming, atom naming, etc) for the heavy atom file to assist buccaneer with sequence assignment? The one I have now seems to be returning structures that do not have SeMet at these locations. Thanks F - F