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Dear all

I have solved a structure of protein with ligand at 2.7 and 2.8 A. Both
have ligand bound in it as i soaked it.

For the first structure i soaked for lesser time and lesser concentration
of ligand and solved it at 2.7 A resolution. Although the ligand has good
density (2Fo-Fc at 0.9 sigma) but it is little unconnected from its middle
portion. Its RSCC value is 0.76 and B-factor of 70.0. Overall completeness
of structure is > 91%. So If i decrease the occupancy of ligand here, will
it improve the ligand statistics esp. the Real space R-value??

However for the second structure, i soaked for longer time and higher
ligand concentration, so the ligand is perfect with clear 2Fo-Fc map at 1.2
sigma and Fo-Fc map at 2.8 sigma along with well defined simulated
annealing and composite omit maps. The RSCC value is 0.81 with B-factor of
40.1.The only issue is the overall completeness of the structure is 88%.
But if i get evrything OK at this completeness, den can i consider the
second structure with ligand as the correct one??

Thanks in advance.
Monica