hi all
During refinement of a structure i used intensity based twin
refinement in refmac. It decreased the R and Free factors by about 10%
but the Rms bond length and Rms bond angles increased substantially.
Could anyone tell me what could possibly be done to bring the rms
values to normal and acceptable range. Resolution of data is 1.6A and
we were stuck at R and Free R of 27 and 31 respectively before Twin
refinement inspite of having excellent e- density. Twin fraction as
estimated by refmac was 0.528.
thanks in advance
--
Sudhir Kumar
Research Scholar
Structural Biology Laboratory
SLS, JNU,
New Delhi-110067
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