Hi, above 3 "sigma" is alarming. Possibilities are: - it is misplaced; - parameters are not refined well (till convergence, for example); - it is partially occupied so you need to refine occupancy (one q per entire ligand). Pavel On 2/7/16 00:42, Singh, Bishal wrote:
Dear all, I am solving a structure at 1.28 Å. On the ligand, there are some patches of negative electron density till 3.5 RMSD. It will be highly appreciated if someone can tell the maximum RMSD of allowed negative electron density in structure. Thank you!
With regards, Bishal Singh PhD student German cancer research center (DKFZ) University of Heidelberg, Germany
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