[sharp-discuss] SHARP with two SAD isomorphous datasets

[Jose Arcadio]

Hello:

I have two  derivatives soaked into the same platinum compound, 
unfortunately the native is extremely non-isomorphous. The two platinum 
soaks were scaled quite well because they are very isomorphous. I 
already found the sites using shelx (doing SAD for both crystals 
independently) also the hand is clear. I did this outside of the SHARP 
pipeline. Just looking at the fractional coordinates of the sites they 
seem to be different. I want to use SHARP to phase with both crystals, 
but I am not sure whether the sites have the same origin.

My space group is C2221

soak 1
0.183571  0.783974  0.092060
0.355522  0.743103  0.105145
0.537300  0.722351  0.044651

soak 2
0.818542  0.218452  0.092027
0.644547  0.255127  0.108293

How likely is that both crystals have the same sites and how can I be 
sure that the sites have the same origin? Is there a way in which I can 
use autoSHARP in order to do two SAD experiments with no native? Maybe 
submit a MAD experiment?


Thanks a lot for all your help

Jose Arcadio Farias Rico
PhD Student
Höcker Group (Protein Design)
http://www.eb.tuebingen.mpg.de/research-groups/birte-hocker/protein-design
MPI for Developmental Biology, Spemannstr. 35, 72076 Tübingen, Germany
Tel: +49 7071 601 365
Fax: +49 7071 601 305
E-Mail: jose.farias at tuebingen.mpg.de