[phenixbb] Strong anomalous signal but AutoSol fails

mohamed noor mohamed.noor34 at gmail.com
Thu Aug 6 14:16:06 PDT 2015

Dear developers

I have a low resolution anomalous dataset which Aimless suggests has an
effective resolution to 3.3 A and anomalous signal to 3.5 A. However, SAD
phasing with AutoSol is not successful with the final R factor around 50 %.

I also have another dataset collected at a remote wavelength without
anomalous signal to 3 A but they are not isomorphous (> 2 A difference in c

The anomalous signal comes from the ligand heme c, which is bound
covalently to the protein, so its occupancy should be 1. The protein is
quite small with about 120 residues. Xtriage suggests an NCS of 6 to 20
with most likely number to be 13.

Is there any reason why a reasonable solution cannot be found? There is no

I am using the latest nightly 1.10 pre2124.

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