Dear Manoj,

I'm happy to answer your questions and have a look at your data.  Maybe we
can take this off-list and you report back if and when you solve your
structure.

By the way, I'm processing native data collected with a MetalJet at the
moment.  The anomalous signal is even weaker at 1.35 Å but can be useful.

All best.


Andreas



On Tue, Apr 3, 2018 at 5:36 PM, Manoj Saxena <manoj.sax...@upr.edu> wrote:

> Thank you!, Andreas and all others who replied.
>  I have seen your tutorial and that's what I was referring to.
> Maybe I can consult you later when I screen some samples and have an idea
> of signal strength?
>
> Regards
> Manoj
>
>
> 2018-04-03 10:55 GMT-04:00 Andreas Förster <andreas.foers...@dectris.com>:
>
>> Dear Manoj,
>>
>> providing your crystals diffract to at least 2.5 Å and the sulfurs are
>> ordered, you should be able to solve your structure without too many
>> problems.  As a first experiment, I would recommend collecting 360 degrees
>> of data.  Process these with XDS and the FRIEDEL'S_LAW= FALSE option and
>> see how much anomalous signal CORRECT.LP reports, if you've got stars in
>> the values of the Anomal Corr column, you're on the right track.  Try to
>> phase with SHELXD, following the advice on http://shelx.uni-goettingen
>> .de/tutorials.php.
>>
>> If you don't succeed, you might need higher multiplicity.  If you have a
>> kappa or chi goniometer, you can reorient the crystal and collect another
>> 360 degrees and another 360 degrees, and so on.  Merge all data in XSCALE
>> until you can solve the structure.
>>
>> I once wrote a little tutorial for doing S-SAD on the home source that
>> you might want to follow.  http://www.imperial.ac.uk/x-ra
>> y-crystallography/learning-more/sulphur-sad/  With an HPC detector (or
>> even an image plate) you'd getter better data than with a CCD detector
>> and be able to solve your structure quicker.  (Disclaimer: I work for a
>> company that makes HPC detectors.)  I consider the home source a great
>> place to solve structures by native SAD.
>>
>> All best.
>>
>>
>> Andreas
>>
>>
>>
>> On Tue, Apr 3, 2018 at 4:26 PM, Manoj Saxena <
>> 00001d16aa30e8a1-dmarc-requ...@jiscmail.ac.uk> wrote:
>>
>>> Hi All,
>>>
>>> I am writing to seek advice on doing  sulphur SAD data collection
>>> at Cu based home source for a protein that is 12 KDa and has 6 S atoms.
>>> I have seen some links online and some references but would be grateful
>>> if
>>> you can share your know-how for success with this.
>>> Like what multiplicity of data would be good to aim for and
>>> data processing tips.
>>> Inputs from people who have tried and failed would also be highly
>>> appreciated.
>>>
>>> Thank you
>>> Manoj Saxena
>>> University of Puerto Rico
>>>
>>>
>>>
>>
>>
>> --
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