The protein is 18 KDa. Diffracts to 2.8 A. After homology
modelling, simulated annealing and positional refinements
the R-factor = 22.0 and R-free = 29.0. The geometry is
good (0.01 and 2.0). The refinements are well behaved. No
water molecule added yet.
But the electron density map is a NO NO fit with the model!!
Can't even make out possible helices or strands in the density!!
From O, the correlation between model and map residue-wise is
terrible with the best correlation being 0.2 (using rs_fit).
Crystallography Gurus, Pl advise.
Thanks.
-Barani
chumma at purdue.edu
