[phenixbb] Alternate conformation occupancies sum more than 1

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


Hello,

    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

Mikalai
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