[phenixbb] Only one solution in AutoMR with very negative LLG

Ed Pozharski epozh001 at umaryland.edu
Wed Mar 16 09:29:38 PDT 2011

On Wed, 2011-03-16 at 11:32 -0400, Zhang yu wrote:
> Could someone tell me why HKL2000 couldn't find the correct C2 SP?

Who knows.  In my experience, autoindexing in denzo is sometimes
finicky.  Most tricks alter the set of peaks used for indexing, by
restricting resolution, increasing/decreasing their number, even
changing the spot radius.  Since denzo picked a much larger unit cell,
it may have been swayed by spots from a satellite crystal.  In this
case, the Patterson clearly indicated which space group is right, but
you may have avoided the problem by running your images by another
indexing program.  LabelIT is, imho, a particularly robuts tool.  I am
sure mosflm and/or xds could have worked too.

Wish you to find the DNA in your maps,


"I'd jump in myself, if I weren't so good at whistling."
                               Julian, King of Lemurs

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