Re: [ccp4bb] MR - small coiled coil, 1.65A = 1.000 solutions, all of them wrong

2011-11-05 Thread Napoleão Valadares
The problem was resolved by Isabel Uson and Giovanna Petrillo using ARCIMBOLDO! The real spacegroup is P21, twinned to look like C2221. I would probably take years to solve that on my own, they did it very fast. This was a difficult problem, and still is, since if I try MR using the

[ccp4bb] Merging with CAD fails

2011-11-05 Thread Yuri Pompeu
Hello, I am trying to merge two data sets on from 28 to 2.3 A 99% comlpeteness with another one from 26 to 1.95A 82% completeness. I keep getting an error saying Duplicate labels in the output file. I am sure its something simple but I cannot seem to figure it out Any ideas? Thanks

Re: [ccp4bb] Merging with CAD fails

2011-11-05 Thread Ed Pozharski
If you post the cad input file, it should be easy to pinpoint the problem. As it stands, you are either: 1) Including Miller indices as merged columns - they get done automatically, so if you specify them, you get the duplicate labels 2) You actually do have the same name for the two columns in

Re: [ccp4bb] Merging with CAD fails

2011-11-05 Thread Yuri
Thanks for the help. I believe option 3 describes my situation the best. I am looking into it now... Best, Yuri On Sat, 05 Nov 2011 16:38:11 -0400, Ed Pozharski wrote: If you post the cad input file, it should be easy to pinpoint the problem. As it stands, you are either: 1) Including Miller

Re: [ccp4bb] Merging with CAD fails

2011-11-05 Thread Harry
Hi You can use Pointless to merge the files together into one mtz file - then take the output mtz from Pointless and run it through Scala (though its replacement program Aimless is faster and seems to do a better job, and is available directly from Phil Evans' ftp site). I think the

[ccp4bb] yellow crystals

2011-11-05 Thread Caitlyn Claire Yeykal
Hi -- has anyone had crystals that are colored in regular (unpolarized) light? Mine are yellow, and I'm not aware of anything in the buffer conditions that might cause this. I read online that glutaraldehyde can turn protein crystals a golden color, but as far as I know there isn't any

Re: [ccp4bb] yellow crystals

2011-11-05 Thread Nat Echols
On Sat, Nov 5, 2011 at 3:02 PM, Caitlyn Claire Yeykal cait...@uchicago.edu wrote: Hi -- has anyone had crystals that are colored in regular (unpolarized) light?  Mine are yellow, and I'm not aware of anything in the buffer conditions that might cause this.  I read online that glutaraldehyde can

Re: [ccp4bb] yellow crystals

2011-11-05 Thread Caitlyn Claire Yeykal
Thanks for all the replies -- there are no suggestions in the literature or in crystallized or predicted domain structures that this protein binds a cofactor, and, although I did purify it in insect cells, PAGE gels and activity assays support the assertion that it's not ferritin. Nobody

Re: [ccp4bb] yellow crystals

2011-11-05 Thread REGINALD MCNULTY
It's also possible that there's oxidation in the buffer causing the yellow color. I'm not sure how common this is with HEPES. But I see it all the time with MOPS. Alternatively, does the yellow color bind the column during purification? If so, then it sounds like a co-purified flavin or

Re: [ccp4bb] yellow crystals

2011-11-05 Thread Craig A. Bingman
In another thread, you indicated that there were no identifiable cofactor binding sites in your protein, so we are down to less common situations. Some proteins are spontaneously decorated with pyridoxal on surface lysine residues. In some cases, this has absolutely nothing to do with the

Re: [ccp4bb] Merging with CAD files

2011-11-05 Thread Ramanuj Banerjee
Hi, I used CAD for merging datasets during MIR. I faced the same problem. The solution is: the datasets you are trying to merge should have different labels i.e if dataset 1 has labels: F and SigF, dataset 2 should be F_d1 and SigF_d1. Mention the labels during the cad run. Ramanuj