Re: [ccp4bb] Phasing a difficult RNA heteroduplex structure

2022-05-06 Thread Francis Reyes
No love for RNA!? Ouch ! I was in the similar problem ten years ago when I was solving riboswitch RNAs as a graduate student. B12 riboswitch,stuck at 5-6A for derivatives, but had pretty reasonable native data. It was a combination of experimental phasing using clusters at low resolution and

Re: [ccp4bb] Phasing a difficult RNA heteroduplex structure

2022-05-06 Thread William G. Scott
Dear Charlie, Eleanor et al: "Hate" might be a wee bit extreme, but I fully appreciate that RNA certainly can be rather frustrating. (I used to say the only things that catalytic RNA degraded faster than itself were my self-esteem and career prospects.) I managed to crystallize the same RNA m

Re: [ccp4bb] Phasing a difficult RNA heteroduplex structure

2022-05-06 Thread Eleanor Dodson
How I hate RNA! However, structures have been solved.. As others say: Look for twinning Look for translation non-cryst symmetry. It seems likely when you have a doubling of the a axis for the Zn derivative. I use CCP4I2 and the data processing report will do both these tests. Then you need to dec

Re: [ccp4bb] Phasing a difficult RNA heteroduplex structure

2022-05-06 Thread Petr Kolenko
Dear Charlie Nichols, when optimizing your SHELX runs, SHELIXIR may help you in some cases (https://kmlinux.fjfi.cvut.cz/~kolenpe1/shelixir). A couple of days ago, I created quick and dirty tutorial to SHELIXIR command line: https://www.youtube.com/watch?v=dqi5_yLhWOc and also the same quality t

Re: [ccp4bb] Phasing a difficult RNA heteroduplex structure

2022-05-06 Thread Mooers, Blaine H.M. (HSC)
Hi Charles, Congratulations on getting an RNA heteroduplex to crystallize! Most do not crystallize. You should make and look at a native Patterson map to find the off-origin peak(s) that give the report of tNCS. The direction and distance of this peak from the origin can be enlightening. For an

[ccp4bb] Phasing a difficult RNA heteroduplex structure

2022-05-06 Thread Nichols, Charlie
Dear all, I am trying to solve the structure of an RNA heteroduplex + ligand with approximate MW of 6800. * Structure likely to have a core helical region and a couple of bases of single stranded material at both ends on both strands I have datasets from visually similar crystals with diff