[ccp4bb]: expected R-factors

[Wen Hwa Lee <leewh@scripps.edu>]

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Dear all

I am trying to calculate the R-factor between two different PDB models 
(1qll and 1clp). Both models are really similar (over 96% ID).

Initially I superimposed both structures and assigned them a P1 cell (big
enough for any one of them, same cell for both), then I used SFALL to
calculate the Fcalc for each one of the 'recelled' model (MODE SFALL
HKLIN; resolution 30-2.0).

After that, I calculated the R-factor. Strangely it went over 80% (!!). 
As far as I know, the theoretical values of R should be 59% for randomly 
positioned atoms in a unit cell. Can anybody give me a hint?


Wen Hwa Lee, PhD
Computational biology
TSRI