Spin pair geometry revealed by high-field DEER in the presence of conformational distributions

Journal of Magnetic Resonance

Volumn 185, Issue 1, 2007, Pages 118-129

  Polyhach, Ye ^a,b   Godt, A ^c   Bauer, C ^a   Jeschke, G ^a,b  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b UNIVERSITY OF KONSTANZ   (Germany)

^c BIELEFELD UNIVERSITY   (Germany)

Author keywords

ELDOR; EPR; High field EPR; Orientation selection; Spin labeling

Indexed keywords

MACROMOLECULES; MAGNETIC FIELD EFFECTS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NITROGEN OXIDES; PARAMAGNETIC RESONANCE;

DOUBLE ELECTRON ELECTRON RESONANCE (DEER); HIGH FIELD EPR; NITROXIDES; ORIENTATION SELECTION; SPIN LABELING;

MOLECULAR ORIENTATION;

BIOPOLYMER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SPIN LABELING;

ALGORITHMS; BIOPOLYMERS; COMPUTER SIMULATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SPIN LABELS;

EID: 33947620119     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2006.11.012     Document Type: Article

References (42)

1. Schweiger A., and Jeschke G. Principles of Pulse Electron Paramagnetic Resonance (2001), Oxford University Press, Oxford
2. Hubbell W., and Altenbach C. Investigation of structure and dynamics in membrane proteins using site-directed spin labeling. Curr. Opin. Struct. Biol. 4 (1994) 566-573
3. Hubbell W., Gross A., Langen R., and Lietzow M. Recent advances in site-directed spin labeling of proteins. Curr. Opin. Struct. Biol. 8 (1998) 649-656
4. Hubbell W., Cafiso D., and Altenbach C. Identifying conformational changes with site-directed spin labeling. Nat. Struct. Biol. 7 (2000) 735-739
5. Möbius K., Savitsky A., Wegner C., Plato M., Fuchs M., Schnegg A., Dubinsky A., Grishin Y., Grigor'ev I., Künn M., Duché D., Zimmermann H., and Steinhoff H. Combining high-field EPR with site-directed spin labeling reveals unique information on proteins in action. Magn. Reson. Chem. 43 (2005) S4-S16
6. Pyka J., Ilnicki J., Altenbach C., Hubbell W., and Froncisz W. Accessibility and dynamics of nitroxide side chains in T4 lysozyme measured by saturation recovery EPR. Biophys. J. 89 (2005) 2059-2068;
7. Shvetsov A., Stamm J., Phillips M., Warshaviak D., Altenbach C., Rubenstein P., Hideg K., Hubbell W., and Reisler E. Conformational dynamics of loop 262-274 in G- and F-actin. Biochemistry 45 (2006) 6541-6549
8. Steinhoff H.-J. Methods for study of protein dynamics and protein-protein interaction in protein-ubiquitination by electron paramagnetic resonance spectroscopy. Front. Biosci. 7 (2002) C97-C110
9. Milov A., Salikhov K., and Shirov M. Application of ELDOR in electron spin echo for paramagnetic center space distributions in solids. Fiz. Tverd. Tela (Leningrad) 23 (1981) 957-982
10. Milov A., Ponomarev A., and Tsvetkov Yu. Electron-electron double-resonance in electron spin echo: model biradical systems and the sensitized photolysis of decalin. Chem. Phys. Lett. 110 (1984) 67-72
11. Pannier M., Veit S., Godt A., Jeschke G., and Spiess H.W. Dead-time free measurement of dipole-dipole interactions between electron spins. J. Magn. Reson. 142 (2000) 331-340
12. Saxena S., and Freed J. Double quantum two-dimensional Fourier transform electron spin resonance: distance measurements. Chem. Phys. Lett. 251 (1996) 102-110
13. Borbat P., and Freed J. Multiple-quantum ESR and distance measurements. Chem. Phys. Lett. 313 (1999) 145-154
14. Borbat P., Mchaourab H., and Freed J. Protein structure determination using long-distance constraints from double-quantum coherence ESR: study of T4 lysozyme. J. Am. Chem. Soc. 124 (2002) 5304-5314
15. Persson M., Harbridge J., Hammarstrom P., Mitri R., Martensson L.-G., Carlsson U., Eaton G., and Eaton S. Comparison of electron paramagnetic resonance methods to determine distances between spin-labels on human carbonic anhydrase II. Biophys. J. 80 (2001) 2886-2897
16. Elsässer C., Brecht M., and Bittl R. Pulsed electron-electron double resonance on multinuclear metal clusters: assignment of spin projection factors on the dipolar interaction. J. Am. Chem. Soc. 124 (2002) 12606-12611
17. Zhou Z., DeSensi S.C., Stein R.A., Brandon S., Dixit M., McArdle E.J., Warren E.M., Kroh H.K., Song L., Cobb C.E., Hustedt E.J., and Beth A.H. Solution structure of the cytoplasmic domain of erythrocyte membrane band 3 determined by site-directed spin labeling. Biochemistry 44 (2005) 15115-15128
18. Banham J., Timmel C., Abbott R., Lea S., and Jeschke G. The characterization of weak protein-protein interactions: evidence from DEER for the trimerization of a von Willebrand Factor A domain in solution. Angew. Chem. Int. Edit. 118 (2006) 1058-1061
19. +/proline transporter PutP of Escherichia coli. Biophys. J. 86 (2004) 2551-2557
20. Jeschke G., Bender A., Schweikardt T., Panek G., Decker H., and Paulsen H. Localization of the N-terminal domain in light-harvesting chlorophyll a/b protein by EPR measurements. J. Biol. Chem. 280 (2005) 18623-18630
21. + antiporter of E. coli. Biophys. J. 89 (2005) 1328-1338
22. Borovykh I., Ceola S., Gajula P., Gast P., Steinhoff H.-J., and Huber M. Distance between a native cofactor and a spin label in the reaction centre of Rhodobacter sphaeroides by a two-frequency pulsed electron paramagnetic resonance method and molecular dynamics simulations. J. Magn. Reson. 180 (2006) 178-185
23. Schiemann O., Piton N., Mu Y., Stock G., Engels J., and Prisner T. A PELDOR-based nanometer distance ruler for oligonucleotides. J. Am. Chem. Soc. 126 (2004) 5722-5729
24. Milov A., Tsvetkov Y., Formaggio F., Crisma M., Toniolo C., and Raap J. Self-assembling properties of membrane-peptides studied by Peldor and cw-ESR spectroscopies. J. Am. Chem. Soc. 122 (2000) 3843-3848
25. Pannier M., Schädler V., Schöps M., Wiesner U., Jeschke G., and Spiess H.-W. Determination of ion cluster size and cluster-to-cluster distances in ionomers by four-pulse double electron-electron resonance spectroscopy. Macromolecules 33 (2000) 7812-7818
26. Jeschke G. Determination of the nanostructure of polymer materials by electron paramagnetic resonance spectroscopy. Macromol. Rapid Comm. 23 (2002) 227-246
27. Jeschke G., and Godt A. Co-conformational distribution of nanosized [2]catenanes determined by pulse EPR measurements. Chem. Phys. Chem 4 (2003) 1328-1334
28. Hinderberger D., Schmelz O., Rehahn M., and Jeschke G. Electrostatic site attachment of divalent counterions to rodlike ruthenium(II) coordination polymers characterized by EPR. Angew. Chem. Int. Edit. 43 (2004) 4616-4621
29. Milov A., Maryasov A., and Tsvetkov Y. Pulsed electron double resonance (PELDOR) and its applications in free-radicals research. Appl. Magn. Reson. 15 (1998) 107-143
30. Milov A., Naumov B., and Tsvetkov Yu. The effect of microwave pulse duration on the distance distribution function between spin labels obtained by PELDOR data analysis. Appl. Magn. Reson. 26 (2004) 587-599
31. Jeschke G. Distance measurements in the nanometer range by pulse EPR. Chem. Phys. Chem 3 (2002) 927-932
32. Jeschke G. Data analysis procedures for pulse ELDOR measurements of broad distance distributions. Appl. Magn. Reson. 26 (2004) 223-224
33. Jeschke G., Paulsen A.BenderH., Zimmermann H., and Godt A. Sensitivity enhancement in pulse EPR distance measurements. J. Magn. Reson. 169 (2004) 1-12
34. Jeschke G., Zimmermann H., and Godt A. Isotope selection in distance measurements between nitroxides. J. Magn. Reson. 180 (2006) 137-146
35. G. Jeschke, V. Chechik, P. Ionita, A. Godt, H. Zimmermann, J. Banham, C.R. Timmel, D. Hilger, H. Jung, DeerAnalysis2006-a comprehensive software package for analyzing pulsed ELDOR data, Appl. Magn. Reson. (in press).
36. Chiang Y.-W., Borbat P., and Freed J. The determination of pair distance distributions by pulsed ESR using Tikhonov regularization. J. Magn. Reson. 172 (2005) 279-295
37. Larsen R., and Singel D. Double electron-electron resonance spin-echo modulation: spectroscopic measurement of electron spin-pair separations in orientationally disordered solids. J. Chem. Phys. 98 (1993) 5134-5146
38. Maryasov A., and Raap Y.TsvetkovJ. Weakly coupled radical pairs in solids: ELDOR in ESE structure studies. Appl. Magn. Reson. 14 (1998) 101-113
39. Denysenkov V., Prisner T., Stubbe J., and Benatti M. High-frequency 180 GHz PELDOR. Appl. Magn. Reson. 29 (2005) 375-384
40. Godt A., Franzen C., Veit S., Enkelmann V., Pannier M., and Jeschke G. EPR probes with well-defined, long distances between two or three unpaired electrons. J. Org. Chem. 65 (2000) 7575-7582
41. Stoll S., and Schweiger A. EasySpin, a comprehensive software package for spectral simulation and analysis in EPR. J. Magn. Reson. 178 (2006) 42-55
42. Jeschke G., and Spiess H.W. Distance Measurements in Solid-State NMR and EPR Spectroscopy. Lect. Notes Phys. 684 (2006) 21-63