Tc. Terwilliger et J. Berendzen, Evaluation of macromolecular electron-density map quality using the correlation of local r.m.s. density, ACT CRYST D, 55, 1999, pp. 1872-1877
It has recently been shown that the standard deviation of local r.m.s. elec
tron density is a good indicator of the presence of distinct regions of sol
vent and protein in macromolecular electron-density maps here, it is demons
trated that a complementary measure, the correlation of local r.m.s. densit
y in adjacent regions on the unit cell, is also a good measure of the prese
nce of distinct solvent and protein regions. The correlation of local r.m.s
. density is essentially a measure of how contiguous the solvent (and prote
in) regions are in the electron-density map. This statistic can be calculat
ed in real space or in reciprocal space and has potential uses in evaluatio
n of heavy-atom solutions in the MIR and MAD methods as well as for evaluat
ion of trial phase sets in ab initio phasing procedures.