[phenixbb] table 1 no CC values, selenomethionine occupancy refinement
georg.mlynek at univie.ac.at
Thu Apr 4 11:22:06 PDT 2013
Dear All, I have 3 minor questions/problem and would be grateful for
1a. Providing the XDS_ASCII.HKL to phenix tableI works perfect, however
there are no values written for CC1/2. The same file in
phenix.merging_statistics I get the CC1/2. Am I missing something?
1b. The only value phenix tablel one takes from INTEGRATE.LP (i guess
CORRECT.LP will work too) is the wavelength - true?
2. I see some negative density around the seleniums in my
selenomethionine labeled protein. I guess this is due to radiation
damage. Is the accepted standard to do occupancy refinement for just the
sidechain, or just parts of the sidechain, the whole residue or just
leave it like it is.
For the side chain
selection = resname MSE ( name CB or name CG or name SE or name CE
or name HB2 or name HB3 or name HG2 or name HG3 or name HE1 or name HE2
or name HE3
should work or?
I am using version dev-1334 on ubuntu.
Best regards Georg.
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