Abstract
The new program DASHA is an efficient implementation of common data processing steps for the protein internal dynamic analysis. The “model-free” parameters and their uncertainties (Lipari G., Szabo A.: J. Am. Chem. Soc.104, 4546–4559 (1982) can be calculated from an arbitrary combination of experimental data sets (i.e. heteronuclear1H−15N or1H−13C relaxation times and NOE values at different spectrometer frequencies). Anisotropy of the molecular rotational diffusion could be also taken into account without introduction of the new adjustable parameters into the spectral density functionJ(ω), provided the structure of the molecule is known. Parameters of chemical (conformational) exchange can be estimated from the CPMG spin-lock frequency dependences (Bloomet al.: J. Chem. Phys.42, 1615–1624 (1965); Orekhovet al.: Eur. J. Biochem.219, 887–896 (1994). The program can be used both in the interactive and batch modes. It has sophisticated PostScript plotting facilities.
This is a preview of subscription content, log in via an institution to check access.
References
Wagner G.: Curr. Op. in Struct. Biol.3, 748–754 (1993)
Lipari G., Szabo A.: J. Am. Chem. Soc.104, 4546–4559 (1982)
Clore G.M., Szabo A., Bax A., Kay L.E., Driscoll P.C., Gronenborn A.M.: J. Am. Chem. Soc.112, 4989–4991 (1990)
Barbato G., Ikura M., Kay L.E., Pastor R.W., Bax A.: Biochemistry31, 5269–5278 (1992)
Carr H.Y., Purcell E.M.: Phys. Rev.94, 630–638 (1954)
Bloom M., Reeves L.W., Wells E.J.: J. Chem. Phys.42, 1615–1624 (1965)
Palmer A.G., Rance M., Wright P.E.: J. Am. Chem. Soc.113, 4371–4380 (1991)
Abragam A. in: The principles of Nuclear Magnetism. England, Oxford: Clarendon Press 1961.
Dewerell C., Morgan R.E., Strange J.H.: Mol. Phys.18, 553–559 (1970)
Reeves L.W. in: Dynamic Nuclear Magnetic Resonance Spectroscopy (Jackman L.M., Cotton F.A., eds.), pp. 83–130. New York, San Francisco, London: Academic Press 1985).
Orekhov V.Yu., Pervushin K.V., Arseniev A.S.: Eur. J. Biochem.219, 887–896 (1994)
Kay L.E., Torchia D.A., Bax A.: Biochemistry28, 8972–8979 (1989)
Barchi J.J., Grasberger B., Gronenborn A.M., Clore G.M.: Protein Science3, 15–21 (1994)
Orekhov V.Yu., Pervushin K.V., Korzhnev D.M., Arseniev A.S.: J. Biomol. NMR6, 113–122 (1995)
Woessner D.E.: J. Chem. Phys.37, 647–654 (1962)
Happel J., Branner H. in: Low Reynolds Number Hydrodynamics. Leyden: Nordoff 1973
Garsia de la Torre J., Bloomfield V.A.: Biopolymers16, 1747–1763 (1977)
Garsia de la Torre J., Bollomfield V.A.: Biopolymers16, 1765–1778 (1977)
Garsia de la Torre J., Bloomfield V.A.: Q. Rev. Biophys.14, 81–139 (1981)
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Orekhov, V.Y., Nolde, D.E., Golovanov, A.P. et al. Processing of heteronuclear NMR relaxation data with the new software DASHA. Appl. Magn. Reson. 9, 581–588 (1995). https://doi.org/10.1007/BF03162365
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF03162365