Pseudo-translation: Difference between revisions
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(Created page with "* R-values of a structure with pseudo-translation are higher than usual, e.g. starting R values after molecular replacement could be 70-80%. == Solving the structure == # obt...") |
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Revision as of 10:31, 24 March 2012
- R-values of a structure with pseudo-translation are higher than usual, e.g. starting R values after molecular replacement could be 70-80%.
Solving the structure
- obtain the pseudo-translation vector (PST) from sfcheck/phenix.xtriage/molrep
- generate a model (2 molecules in 1 pdb file) consisting of one molecule at (0,0,0) and one shifted by the PST in the orientation you found by mol rep and run molecular replacement with that model (note: the molrep program does all of this internally)
- if that fails, reprocess the data in P1 and try step 2 in all possible spacegroups, including those with lower symmetry (like P1 itself)