Hi
I am new to relax and have a quite general question about the value used
for the CSA while studying proteins' 15N-1H vectors with model-free
approach.
In the litterature, we mainly find two values for the CSA (-160 and -172
ppm).
There is, if I understand well, a link between the bond length and the
CSA, but everyone seems to agree about using the same value of 1.02 A
which should give rise to a mean S2 of 0.85 for secondary structure when
combined to a CSA of -172 ppm.
In the relax sample scripts (as well as in the Model-free manual), a
value of -160 ppm is used for CSA.
What is the best value to use and, most importantly, why ?
Also, what about the CSA variability from one vector to another (JACS,
128 (24), 7855 -7870, 2006) ?
Thanks !
Sébastien
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| |
|| Sebastien Morin ||
||| Etudiant au doctorat en biochimie |||
|||| Laboratoire de resonance magnetique nucleaire ||||
||||| Dr Stephane Gagne |||||
|||| CREFSIP (Universite Laval) ||||
||| 1-418-656-2131 poste 4530 |||
|| [EMAIL PROTECTED] ||
|_______________________________________________|
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relax (http://nmr-relax.com)
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