[phenixbb] Unrealistic number of waters found by phenix?

Ina Lindemann lindema2 at staff.uni-marburg.de
Wed Feb 16 23:52:26 PST 2011


I am refining a crystal structure of a protein with 198 amino acids at  
1.59 A resolution.
I have used the function Update waters in phenix. After visual  
inspection of the found water molecules I deleted some of them, but  
there are still 334 water molecules left which show reasonable  
electron density. Many of them interacts just with other water  
molecules and not with the protein.
I calculated the average B of water molecules = 26.3 and protein = 12.6.
Now I am wondering if the number of water molecules and their average  
B value is to high with respect to the protein and would be very  
pleased about your answers.

With best regards,

Ina Lindemann
Philipps-Universität Marburg
Pharmazeutische Chemie
AG Klebe
Marbacher Weg 6
35032 Marburg
Tel.: 06421/2825908

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