[phenixbb] Alternate conformation occupancies sum more than 1

Mikalai Lapkouski gort105 at gmail.com
Thu Nov 15 06:38:30 PST 2012


    I was refining the 1.2 A structure. After refining occupancies there
are several residues with alternate conformers for which
the sum of the occupancies is greater than one. For example:

GLY A 197 O   Occupancy sums to 1.14
MET B  17 CB  Occupancy sums to 1.03
TYR B 142 CD1 Occupancy sums to 1.04
TYR B 142 CZ  Occupancy sums to 1.01
GLY B 197 O   Occupancy sums to 1.23

The density is defined nicely for them, do you know what can be the problem
of why the sum could be more than 1?

Thank you

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