Hi folks

just my two ha’porth.

Back in the mid 1990s, when MAD was becoming common and tunable beamlines were 
being installed at every synchrotron you could shake a stick at, I was involved 
in several successful projects involving 5-Br-U in oligo-DNA crystallography. 
In my (very, very) naïve hands at the time it worked like magic (I remember my 
shock at seeing the base stacking in the first map I calculated for one of the 
structures) - and this was using data collected on image plates with each image 
spanning rather more than 1 degree - so not how it would be done now.

Since just about everything to do with data collection and processing and 
structure solution has improved by leaps and bounds since then, I would back 
Br-SAD to yield a structure.

If anyone’s interested, they can see my contribution regarding this at the 1997 
CCP4 Study Weekend proceedings (this was prior to them appearing in Acta D), 
available at - 

        https://legacy.ccp4.ac.uk/courses/proceedings/1997/h_powell/main.html

Contributions at the same meeting by others whose names will be instantly 
recognizable may well be more use than mine…

Best wishes

Harry

> On 19 Sep 2023, at 19:32, Wagner, Armin (DLSLtd,RAL,LSCI) 
> <0000ada38eff8538-dmarc-requ...@jiscmail.ac.uk> wrote:
> 
> 5-Br-U is a good alternative and works well, but we have also managed to 
> solve RNA/DNA by K-SAD or Co-SAD (https://doi.org/10.1093/nar/gkaa439) and Ca 
> could be attractive as a potential anomalous scatter as well.
>  
> Best regards,
>  
> Armin
>  
>  
>  
>  
> From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Mark J. van 
> Raaij <mjvanra...@cnb.csic.es>
> Date: Tuesday, 19 September 2023 at 12:31
> To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK>
> Subject: Re: [ccp4bb] the structures of Nucleic acid
> 
> This just appeared and may be relevant:
> https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gkad726/7272628
>  
> Critical Reviews and Perspectives
> When will RNA get its AlphaFold moment? 
> Mark van Raaij
> Dpto de Estructura de Macromoleculas, lab 20B
> Centro Nacional de Biotecnologia - CSIC
> calle Darwin 3
> E-28049 Madrid, Spain
> tel. +34 91 585 4616 (internal 432092)
> 
> 
> 
> On 18 Sep 2023, at 18:07, William G. Scott 
> <00002844d921eb97-dmarc-requ...@jiscmail.ac.uk> wrote:
>  
> The phosphorus absorption edge is about 5.8Å.
> 
> I've had much better luck with 5-Br-U for anomalous phasing.
> 
> Molecular replacement with sub-structural fragments can also work:
> <https://scottlab.ucsc.edu/scottlab/reprints/2010_Scott_Methods.pdf>
> 
> 
> Yours sincerely,
> 
> William G. Scott
> Professor, Department of Chemistry and Biochemistry
> and The Center for the Molecular Biology of RNA
> University of California at Santa Cruz
> Santa Cruz, California 95064  
> USA
> 
> 
> On Sep 18, 2023, at 2:43 AM, Eleanor Dodson 
> <0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
> 
> I am afraid most scientists will use the most straightforward technique! 
> If SAD is available the PHOSPHATE backbone of DNA will provide sufficient 
> signal to allow SAD to work, and you get an unambiguous answer to whether it 
> is A-DNA or B or Z...
> MR will usually work of course as well
> Eleanor
> 
> 
> On Mon, 18 Sept 2023 at 09:18, Natesh Ramanathan <nat...@iisertvm.ac.in> 
> wrote:
> Dear Fu Xingke,
> 
>         Depends on what Nucleic Acid you are talking of.  If it is RNA, you 
> can expect some sequence to tertiary structure correspondence so you might be 
> able to try more MR as compared to DNA.   DNA may have double helical 
> architecture but less sequence to tertiary structure correspondence, and 
> hence DNA is less likely to have a 3D structure like RNA specific structure 
> for a sequence.
> 
>         SAD has become a straight forward method to avoid all these problems 
> to get ab-initio structure.  So many go for it directly.
> 
> Hope that helps.
> Best wishes,
> Natesh
> 
> On Mon, 18 Sept 2023 at 13:36, fuxingke <fuxingke0...@163.com> wrote:
> Dear Colleagues,
> 
>     Reacently, I find the structures of Nucleic acid are solved by 
> single-wavelength anomalous diffraction(SAD). So, why molecular replacement 
> (MR) not?
> 
> Regards
> 
> 
> 
> Best wishes,
> 
> Fu Xingke
> 
> Institute of Physics CAS
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