F000

Diao Jia-Sheng diao at HIS.SB.FSU.EDU
Mon Nov 17 17:21:38 EST 1997


Hi, all:

 I'd like to get an approximate estamate of F000 value for a specific
structure.
 Textbooks seem to say that F000 = Sum fj = all electrons in the cell,
 j means all atoms in the crystal cell. I wonderif I need
 to include those electrons from disordered waters when I count electrons in
 the cell,
 i.e., F000= Fpe(protein electrons) + Fowe(ordered water electrons)  + Fdwe (
disordered waters electrons). I am suspecting if those disordered waters can
make contribution to F000.

P.S.:  Disordered waters mean the water molecules which can not determined from
electron density map. Again, we assume there is a kind of solvent, water which
exists in the crystal.



Sincerely yours,

Diao Jiasheng


Institute of Molecular Biophysics,
Florida State University,
Tallahassee,  FL 32306




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