Electron Density: Cloud vs. Isomesh "Map"
Bob Hanson and Eric Martz, April 2010 (Updated to JSmol January 2016)
Here is a piece of an electron density cloud. The cloud is calculated from a
protein crystallographic X-ray diffraction
experiment. Each point shows the electron density at a position in space. Darker points represent higher densities.
It is clear that the cloud has structure, but it is difficult to see the structure. By hiding lower densities, we can begin to see the structure.
Jmol._Canvas2D (Jmol) "jmolApplet0"
[x]
Show all densities
Hide densities <0.1 sigma
Hide densities <0.3 sigma
Hide densities <1.0 sigma
Now let's show an isomesh* at 1.0 sigma.
Show isomesh
The isomesh is easier to see, so let's hide the cloud.
Hide cloud
Crystallographers fit an atomic model into the isomesh
electron density map
.
The map is the data; the model is an interpretation of the data which has some uncertainty.
Show atomic model:
C
H
O
N
To zoom, position your mouse at the right edge of JSmol, then drag up and down.
Hide hydrogen atoms.
Due to its very low electron density,
hydrogen is usually not seen
in electron density maps at protein crystal resolutions.
*An
isoline
is a line connecting points of equal value. An
isomesh
is a mesh made of isolines, e.g. connecting points with a value of 1.0 sigma of electron density.
The above example shows
3hyd
, a 7-amino acid peptide with an electron density map
resolution
of 1.0 Ångstrom. Crystals of larger proteins typically have poorer resolutions. The median resolution of entries in the
Protein Data Bank
is 2.0 Ångstroms. Maps at these resolutions leave greater uncertainty in the atomic positions.
On the next page is shown an
electron density map at 2.0 Å
, highlighting regions of low and high uncertainty.
Adapted from
Bob Hanson's Demo
.