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User:Karsten Theis/Electron density

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</jmol>
The peaks are mostly around the phosphorous atoms. P has about twice as many electrons as C, N and O, so it is expected to have roughly twice the electron density (and, even more roughly, twice the maximum electron density at the center of the atom).
The peaks are mostly around the phosphorous atoms. P has about twice as many electrons as C, N and O, so it is expected to have roughly twice the electron density (and, even more roughly, twice the maximum electron density at the center of the atom).
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<jmol>
<jmol>
<jmolButton>
<jmolButton>
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<script>isosurface s_one sigma 1.0 color blue within 1.5 {selected} "http://www.ebi.ac.uk/pdbe/coordinates/files/233d.ccp4" mesh nofill</script>
+
<script>isosurface s_one sigma 3.0 color blue within 1.5 {selected} "http://www.ebi.ac.uk/pdbe/coordinates/files/233d.ccp4" mesh nofill</script>
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<text>1.0 sigma</text>
+
<text>3 sigma</text>
</jmolButton>
</jmolButton>
</jmol>
</jmol>
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<jmol>
<jmol>
<jmolButton>
<jmolButton>
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<script>isosurface s_one sigma 3.0 color blue within 1.5 {selected} "http://www.ebi.ac.uk/pdbe/coordinates/files/233d.ccp4" mesh nofill</script>
+
<script>isosurface s_one sigma 1.0 color blue within 1.5 {selected} "http://www.ebi.ac.uk/pdbe/coordinates/files/233d.ccp4" mesh nofill</script>
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<text>3 sigma</text>
+
<text>1.0 sigma</text>
</jmolButton>
</jmolButton>
</jmol>
</jmol>
If you don't see your model at 1 sigma, you probably should not put in those atoms. At this level, you see a lot of solvent molecules and a lot of noise.
If you don't see your model at 1 sigma, you probably should not put in those atoms. At this level, you see a lot of solvent molecules and a lot of noise.

Revision as of 11:01, 27 June 2018

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Karsten Theis

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