Different cell content than expected in Xtriage
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Dear all, I am solving crystal structure of a protein of size 33.7kDa in space group P 43 21 2 at 2.25 Å resolution. Unit cells constants are 121.51 121.51 156.6 90 90 90. The cell content analysis in Xtriage showed 1050 residues (~ 3X 33.7 kDa) per ASU with 50 % solvent content, whereas the molecular replacement in mr-phaser produced a dimer (2X 33.7 kDa). When we consider a dimer per ASU, it should have approximately 70 % solvent content. Please suggest me whether solution is right or not. I shall appreciate your opinions. Kind regards, Bishal
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Dear Bishal, The correctness of the solution is not only based on the cell content analysis. In the first run the program might have located only 2 molecules or there is only 2 molecules in the asu. What are the TFZ and RFZ scores? Have you looked at the map after getting this solution? Need to provide bit more details to get a clear picture. Please take a look at the following link. https://www.phenix-online.org/documentation/reference/mr_overview.html Jobi Sent from my iPhone
On 18 Aug 2015, at 9:02 pm, Singh, Bishal
wrote: Dear all, I am solving crystal structure of a protein of size 33.7kDa in space group P 43 21 2 at 2.25 Å resolution. Unit cells constants are 121.51 121.51 156.6 90 90 90.
The cell content analysis in Xtriage showed 1050 residues (~ 3X 33.7 kDa) per ASU with 50 % solvent content, whereas the molecular replacement in mr-phaser produced a dimer (2X 33.7 kDa). When we consider a dimer per ASU, it should have approximately 70 % solvent content. Please suggest me whether solution is right or not. I shall appreciate your opinions.
Kind regards, Bishal
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Dear Bishal,
if the structure is consistent with biochemical and biophysical
observations, there's a good chance it's correct.
Best regards.
Andreas
On Tue, Aug 18, 2015 at 3:02 PM, Singh, Bishal
Dear all, I am solving crystal structure of a protein of size 33.7kDa in space group P 43 21 2 at 2.25 Å resolution. Unit cells constants are 121.51 121.51 156.6 90 90 90.
The cell content analysis in Xtriage showed 1050 residues (~ 3X 33.7 kDa) per ASU with 50 % solvent content, whereas the molecular replacement in mr-phaser produced a dimer (2X 33.7 kDa). When we consider a dimer per ASU, it should have approximately 70 % solvent content. Please suggest me whether solution is right or not. I shall appreciate your opinions.
Kind regards, Bishal
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participants (3)
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Andreas Forster
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Jobi
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Singh, Bishal