hi I have a 2.9 ang selenomet MAD data set integrated in four space groups P4, P422, P222 and C222
i had to integrate in all the four space groups as I was stuck in refining the model in P422 by using shelxD I found solution in P43, P43212 and p212121 but not in C222 the CC all/weak for them are as follows P43212 52.51 / 34.57 P43 43.12 / 25.73 P212121 48.63 / 31.74 i donot know how many molecules are there in the asymmetric unit but dimerization of the protein is know from which i can say it could be even number. but matthews coef shows high probability for heptamer. so i used that solvent content in all the above runs. another observation is that at 3.3 ang resolution the anomalous CC % value are 39.2, 35.3, 32.5 and 28.4 for p43212, p43, c2221 and p212121 respectively. in all cases P422 looks better in terms of SHELXC stats. i am afraid that there is twinning involved. could anyone suggest me whether its possible to conclude the right space group among them. With regards uday ------------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------------ Forschungszentrum Juelich GmbH 52425 Juelich Sitz der Gesellschaft: Juelich Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498 Vorsitzender des Aufsichtsrats: MinDirig Dr. Karl Eugen Huthmacher Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender), Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt, Prof. Dr. Sebastian M. Schmidt ------------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------------
