Erratum: Effect of Ca2+/Sr2+ substitution on the electronic structure of the oxygen-evolving complex of photosystem II: A combined multifrequency EPR, 55Mn-ENDOR, and DFT study of the S 2 state (Journal of the American Chemical Society (2011) 133 (3635-3648) (DOI: 10.1021/ja110145v));Effect of Ca2+/Sr2+ substitution on the electronic structure of the oxygen-evolving complex of photosystem II: A combined multifrequency EPR, 55Mn-ENDOR, and DFT study of the S2 state

Journal of the American Chemical Society

Volumn 133, Issue 10, 2011, Pages 3635-3648

  Cox, Nicholas ^a   Rapatskiy, Leonid ^a   Su, Ji Hu ^a   Pantazis, Dimitrios A ^a,b   Sugiura, Miwa ^c   Kulik, Leonid ^d   Dorlet, Pierre ^e   Rutherford, A William ^e   Neese, Frank ^a,b   Boussac, Alain ^e   Lubitz, Wolfgang ^a   Messinger, Johannes ^f  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b UNIVERSITY OF BONN   (Germany)

^c EHIME UNIVERSITY   (Japan)

^d INSTITUTE OF CHEMICAL KINETICS AND COMBUSTION   (Russian Federation)

^e SERVICE DE CHIMIE BIOORGANIQUE ET DE MARQUAGE   (France)

^f UMEÅ UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CHLORINE COMPOUNDS; ELECTRONIC STRUCTURE; IONS; MANGANESE; MANGANESE REMOVAL (WATER TREATMENT); STRONTIUM COMPOUNDS; TENSORS;

ELECTRONIC COUPLING; ENDOR SPECTROSCOPY; HYPERFINE TENSORS; MULTIFREQUENCY EPR; OXYGEN-EVOLVING COMPLEXES; SPIN DISTRIBUTION; SPIN HAMILTONIAN; THERMOSYNECHOCOCCUS ELONGATUS;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

CALCIUM ION; MANGANESE; MANGANESE DERIVATIVE; OXYGEN; STRONTIUM; STRONTIUM CHLORIDE; TYROSINE; CALCIUM;

ARTICLE; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONTROLLED STUDY; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ELECTRONICS; NONHUMAN; OXYGEN EVOLVING COMPLEX; PHOTOSYSTEM II; SIMULATION; SPECTROSCOPY; SUBSTITUTION REACTION; SYNECHOCOCCUS ELONGATUS; THERMOSYNECHOCOCCUS ELONGATUS; CHEMISTRY; CYANOBACTERIUM; ELECTRON; ENZYMOLOGY; FOURIER ANALYSIS; PROTEIN CONFORMATION;

CALCIUM; CYANOBACTERIA; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONS; FOURIER ANALYSIS; MANGANESE; PHOTOSYSTEM II PROTEIN COMPLEX; PROTEIN CONFORMATION; STRONTIUM;

EID: 79952612122     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja202794m     Document Type: Erratum

References (136)

1. Zouni, A.; Witt, H.-T.; Kern, J.; Fromme, P.; Krauss, N.; Saenger, W.; Orth, P. Nature 2001, 409, 739-743
2. Kamiya, N.; Shen, J.-R. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 98-103
3. Ferreira, K. N.; Iverson, T. M.; Maghlaoui, K.; Barber, J.; Iwata, S. Science 2004, 303, 1831-1838
4. Loll, B.; Kern, J.; Saenger, W.; Zouni, A.; Biesiadka, J. Nature 2005, 438, 1040-1044
5. Guskov, A.; Kern, J.; Gabdulkhakov, A.; Broser, M.; Zouni, A.; Saenger, W. Nat. Struct. Mol. Biol. 2009, 16, 334-342
6. Yano, J.; Kern, J.; Sauer, K.; Latimer, M. J.; Pushkar, Y.; Biesiadka, J.; Loll, B.; Saenger, W.; Messinger, J.; Zouni, A.; Yachandra, V. K. Science 2006, 314, 821-825
7. Pushkar, Y.; Yano, J.; Glatzel, P.; Messinger, J.; Lewis, A.; Sauer, K.; Bergmann, U.; Yachandra, V. K. J. Biol. Chem. 2007, 282, 7198-7208
8. Lubitz, W.; Reijerse, E. J.; Messinger, J. Energy Environ. Sci. 2008, 1, 15-31
9. Messinger, J.; Renger, G. In Primary Processes of Photosynthesis-Part 2: Basic Principles and Apparatus; Renger, G., Ed.; Royal Society of Chemistry: Cambridge, 2008;, pp 291 - 349.
10. Hillier, W.; Messinger, J. Mechanism of photosynthetic oxygen production; Springer, 2005; Vol. 1.
11. Siegbahn, P. E. M. Acc. Chem. Res. 2009, 42, 1871-1880
12. Dasgupta, J.; van Willigen, R. T.; Dismukes, G. C. Phys. Chem. Chem. Phys. 2004, 6, 4793-4802
13. Dau, H.; Zaharieva, I. Acc. Chem. Res. 2009, 42, 1861-1870
14. McEvoy, J. P.; Brudvig, G. W. Chem. Rev. 2006, 106, 4455-4483
15. Tommos, C.; Babcock, G. T. Acc. Chem. Res. 1998, 31, 18-25
16. Åhrling, K.; Pace, R. J.; Evans, M. C. W. The catalytic Manganese Cluster: Implications from Spectroscopy; Springer, 2005; Vol. 1.
17. Nelson, N.; Yocum, C. F. Annu. Rev. Plant Biol. 2006, 57, 521-565
18. Renger, G.; Renger, T. Photosynth. Res. 2008, 98, 53-80
19. Kok, B.; Forbush, B.; McGloin, M. Photochem. Photobiol. 1970, 11, 457-475
20. Ono, T.-A.; Inoue, Y. FEBS Lett. 1988, 227, 147-152
21. Boussac, A.; Zimmermann, J. L.; Rutherford, A. W. Biochemistry 1989, 28, 8984-8989
22. Boussac, A.; Zimmermann, J.-L.; Rutherford, A. W. FEBS Lett. 1990, 277, 69-74
23. Ghanotakis, D. F.; Babcock, G. T.; Yocum, C. F. FEBS Lett. 1984, 167, 127-130
24. Sandusky, P. O.; Yocum, C. F. Biochim. Biophys. Acta 1984, 766, 603-611
25. Sandusky, P. O.; Yocum, C. F. Biochim. Biophys. Acta 1986, 849, 85-93
26. Boussac, A.; Rutherford, A. W. Biochemistry 1988, 27, 3476-3483
27. Boussac, A.; Rappaport, F.; Carrier, P.; Verbavatz, J. M.; Gobin, R.; Kirilovsky, D.; Rutherford, A. W.; Sugiura, M. J. Biol. Chem. 2004, 279, 22809-22819
28. Vrettos, J. S.; Stone, D. A.; Brudvig, G. W. Biochemistry 2001, 40, 7937-7945
29. Messinger, J.; Badger, M.; Wydrzynski, T. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 3209-3213
30. Beckmann, K.; Messinger, J.; Badger, M. R.; Wydrzynski, T.; Hillier, W. Photosynth. Res. 2009, 102, 511-522
31. Hendry, G.; Wydrzynski, T. Biochemistry 2003, 42, 6209-6217
32. Hillier, W.; McConnell, I.; Singh, S.; Debus, R.; Boussac, A.; Wydrzynski, T. Photosynthesis. Energy from the Sun 2008, 427-430
33. Kargul, J.; Maghlaoul, K.; Murray, J. W.; Deak, Z.; Boussac, A.; Rutherford, A. W.; Vass, I.; Barber, J. Biochim. Biophys. Acta 2007, 1767, 404-413
34. Ishida, N.; Sugiura, M.; Rappaport, F.; Lai, T. L.; Rutherford, A. W.; Boussac, A. J. Biol. Chem. 2008, 283, 13330-13340
35. Pushkar, Y. L.; Yano, J.; Sauer, K.; Boussac, A.; Yachandra, V. K. Proc. Natl. Acad. Sci. 2008, 105, 1879-1884
36. Latimer, M. J.; DeRose, V. J.; Mukerji, I.; Yachandra, V. K.; Sauer, K.; Klein, M. P. Biochemistry 1995, 34, 10898-10909
37. Latimer, M. J.; DeRose, V. J.; Yachandra, V. K.; Sauer, K.; Klein, M. P. J. Phys. Chem. B 1998, 102, 8257-8265
38. Cinco, R. M.; McFarlane Holman, K. L.; Robblee, J. H.; Yano, J.; Pizarro, S. A.; Bellacchio, E.; Sauer, K.; Yachandra, V. K. Biochemistry 2002, 41, 12928-12933
39. Cinco, R. M.; Robblee, J. H.; Rompel, A.; Fernandez, C.; Yachandra, V. K.; Sauer, K.; Klein, M. P. J. Phys. Chem. B 1998, 102, 8248-8256
40. Robblee, J. H.; Cinco, R. M.; Yachandra, V. K. Biochim. Biophys. Acta 2001, 1503, 7-23
41. Cinco, R. M.; Robblee, J. H.; Messinger, J.; Fernandez, C.; McFarlane Holman, K. L. M.; Sauer, K.; Yachandra, V. K. Biochemistry 2004, 43, 13271-13282
42. th International Congress of Photosynthesis. This new structure has yet to be published and, as such, is not explicitly considered in this manuscript. It is noted that the structure of the OEC reported is most similar to the Siegbahn structure (Figure 1 F).
43. Sproviero, E. M.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. J. Chem. Theory Comput. 2006, 2, 1119-1134
44. Sproviero, E. M.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. J. Am. Chem. Soc. 2008, 130, 6728-6730
45. Sproviero, E. M.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. Curr. Opin. Struct. Biol. 2007, 17, 173-180
46. Yachandra, V.; DeRose, V.; Latimer, M.; Mukerji, I.; Sauer, K.; Klein, M. Science 1993, 260, 675-679
47. Yachandra, V. K.; Sauer, K.; Klein, M. P. Chem. Rev. 1996, 96, 2927-2950
48. Robblee, J. H.; Messinger, J.; Cinco, R. M.; McFarlane, K. L.; Fernandez, C.; Pizarro, S. A.; Sauer, K.; Yachandra, V. K. J. Am. Chem. Soc. 2002, 124, 7459-7471
49. Murray, J. W.; Maghlaoui, K.; Kargul, J.; Ishida, N.; Lai, T.-L.; Rutherford, A. W.; Sugiura, M.; Boussac, A.; Barber, J. Energy Environ. Sci. 2008, 1, 161-166
50. van Gorkom, H. J.; Yocum, C. F. The calcuim and chloride cofactors; Springer, 2005; Vol. 1.
51. Kawakami, K.; Umena, Y.; Kamiya, N.; Shen, J. R. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 8567-8572
52. Haumann, M.; Barra, M.; Loja, P.; Löscher, S.; Krivanek, R.; Grundmeier, A.; Andreassen, L. E.; Dau, H. Biochemistry 2006, 45, 13101-13107
53. Petrie, S.; Stranger, R.; Gatt, P.; Pace, R. J. Chem.-Eur. J. 2007, 13, 5082-5089
54. Petrie, S.; Stranger, R.; Pace, R. J. Chem.-Eur. J. 2008, 14, 5482-5494
55. Kusunoki, M. Biochim. Biophys. Acta 2007, 1767, 484-492
56. Zein, S.; Kulik, L. V.; Yano, J.; Kern, J.; Pushkar, Y.; Zouni, A.; Yachandra, V. K.; Lubitz, W.; Neese, F.; Messinger, J. Philos. Trans. R. Soc. 2008, 363, 1167-1177
57. Pantazis, D. A.; Orio, M.; Petrenko, T.; Zein, S.; Lubitz, W.; Messinger, J.; Neese, F. Phys. Chem. Chem. Phys. 2009, 11, 6788-6798
58. Siegbahn, P. E. M. Chem.-Eur. J. 2008, 14, 8290-8302
59. Siegbahn, P. E. M. J. Am. Chem. Soc. 2009, 131, 18238-18239
60. Dau, H.; Grundmeier, A.; Loja, P.; Haumann, M. Philos. Trans. R. Soc., B 2008, 363, 1237-1244
61. Dau, H.; Haumann, M. Coord. Chem. Rev. 2008, 252, 273-295
62. Horner, O.; Rivière, E.; Blondin, G.; Un, S.; Rutherford, A. W.; Girerd, J.-J.; Boussac, A. J. Am. Chem. Soc. 1998, 120, 7924-7928
63. Kulik, L.; Epel, B.; Messinger, J.; Lubitz, W. Photosynth. Res. 2005, 84, 347-353
64. Kulik, L. V.; Epel, B.; Lubitz, W.; Messinger, J. J. Am. Chem. Soc. 2005, 127, 2392-2393
65. Kulik, L. V.; Epel, B.; Lubitz, W.; Messinger, J. J. Am. Chem. Soc. 2007, 129, 13421-13435
66. Lorigan, G. A.; Britt, R. D. Biochemistry 1994, 33, 12072-12076
67. Peloquin, J. M.; Campbell, K. A.; Randall, D. W.; Evanchik, M. A.; Pecoraro, V. L.; Armstrong, W. H.; Britt, R. D. J. Am. Chem. Soc. 2000, 122, 10926-10942
68. Sivaraja, M.; Tso, J.; Dismukes, G. C. Biochemistry 1989, 28, 9459-9464
69. Sugiura, M.; Boussac, A.; Noguchi, T.; Rappaport, F. Biochim. Biophys. Acta 2008, 1777, 331-342
70. Sugiura, M.; Rappaport, F.; Brettel, K.; Noguchi, T.; Rutherford, A. W.; Boussac, A. Biochemistry 2004, 43, 13549-13563
71. Epel, B.; Gromov, I.; Stoll, S.; Schweiger, A.; Goldfarb, D. Concepts Magn. Reson., Part B 2005, 26B, 36-45
72. Stoll, S.; Schweiger, A. J. Magn. Reson. 2006, 178, 42-55
73. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100
74. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824
75. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829-5835
76. Weigend, F. Phys. Chem. Chem. Phys. 2006, 8, 1057-1065
77. Neese, F. Universität Bonn: Bonn, Germany, 2007.
78. Noodleman, L. J. Chem. Phys. 1981, 74, 5737-5743
79. Noodleman, L.; Case, D. A. Adv. Inorg. Chem. 1992, 38, 423-470
80. Noodleman, L.; Davidson, E. R. Chem. Phys. 1986, 109, 131-143
81. Neese, F. Coord. Chem. Rev. 2009, 253, 526-563
82. Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P. J. Chem. Phys. 2003, 119, 12129-12137
83. Neese, F.; Wennmohs, F.; Hansen, A.; Becker, U. Chem. Phys. 2009, 356, 98-109
84. van Wüllen, C. J. Chem. Phys. 1998, 109, 392-399
85. van Lenthe, E.; Snijders, J. G.; Baerends, E. J. J. Chem. Phys. 1996, 105, 6505-6516
86. Pantazis, D. A.; Chen, X. Y.; Landis, C. R.; Neese, F. J. Chem. Theory Comput. 2008, 4, 908-919
87. Sinnecker, S.; Neese, F.; Noodleman, L.; Lubitz, W. J. Am. Chem. Soc. 2004, 126, 2613-2622
88. Orio, M.; Pantazis, D. A.; Petrenko, T.; Neese, F. Inorg. Chem. 2009, 48, 7251-7260
89. Pantazis, D. A.; Krewald, V.; Orio, M.; Neese, F. Dalton Trans. 2010, 39, 4959-4967
90. Baffert, C.; Orio, M.; Pantazis, D. A.; Duboc, C.; Blackman, A. G.; Blondin, G.; Neese, F.; Deronzier, A.; Collomb, M.-N. Inorg. Chem. 2009, 48, 10281-10288
91. Pantazis, D. A.; Orio, M.; Petrenko, T.; Zein, S.; Bill, E.; Lubitz, W.; Messinger, J.; Neese, F. Chem.-Eur. J. 2009, 15, 5108-5123
92. Messinger, J.; Robblee, J. H.; Bergmann, U.; Fernandez, C.; Glatzel, P.; Visser, H.; Cinco, R. M.; McFarlane, K. L.; Bellacchio, E.; Pizarro, S. A.; Cramer, S. P.; Sauer, K.; Klein, M. P.; Yachandra, V. K. J. Am. Chem. Soc. 2001, 123, 7804-7820
93. Haumann, M.; Müller, C.; Liebisch, P.; Iuzzolino, L.; Dittmer, J.; Grabolle, M.; Neisius, T.; Meyer-Klaucke, W.; Dau, H. Biochemistry 2005, 44, 1894-1908
94. Boussac, A.; Sugiura, M.; Inoue, Y.; Rutherford, A. W. Biochemistry 2000, 39, 13788-13799
95. Beck, W. F.; de Paula, J. C.; Brudvig, G. W. J. Am. Chem. Soc. 1986, 108, 4018-4022
96. Randall, D. W.; Sturgeon, B. E.; Ball, J. A.; Lorigan, G. A.; Chan, M. K.; Klein, M. P.; Armstrong, W. H.; Britt, R. D. J. Am. Chem. Soc. 1995, 117, 11780-11789
97. Tso, J.; Sivaraja, M.; Dismukes, G. C. Biochemistry 1991, 30, 4734-4739
98. Boussac, A.; Rutherford, A. W.; Styring, S. Biochemistry 1990, 29, 24-32
99. Boussac, A.; Kuhl, H.; Ghibaudi, E.; Rögner, M.; Rutherford, A. W. Biochemistry 1999, 38, 11942-11948
100. Kulik, L. V.; Lubitz, W.; Messinger, J. Biochemistry 2005, 44, 9368-9374
101. Pudollek, S.; Lendzian, F.; Bittl, R. Biochem. Soc. Trans. 2008, 36, 1001-1004
102. Teutloff, C.; Kessen, S.; Kern, J.; Zouni, A.; Bittl, R. FEBS Lett. 2006, 580, 3605-3609
103. Bergmann, U.; Grush, M. M.; Horne, C. R.; DeMarois, P.; Penner-Hahn, J. E.; Yocum, C. F.; Wright, D. W.; Dubé Armstrong, W. H.; Christou, G.; Eppley, H. J.; Cramer, S. P. J. Phys. Chem. B 1998, 102, 8350-8352
104. Roelofs, T. A.; Liang, W.; Latimer, M. J.; Cinco, R. M.; Rompel, A.; Andrews, J. C.; Sauer, K.; Yachandra, V. K.; Klein, M. P. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 3335-3340
105. Schäfer, K. O.; Bittl, R.; Zweygart, W.; Lendzian, F.; Haselhorst, G.; Weyhermüller, T.; Wieghardt, K.; Lubitz, W. J. Am. Chem. Soc. 1998, 120, 13104-13120
106. Zheng, M.; Dismukes, G. C. Inorg. Chem. 1996, 35, 3307-3319
107. Zheng, M.; Khangulov, S. V.; Dismukes, G. C.; Barynin, V. V. Inorg. Chem. 1994, 33, 382-387
108. Wiberg, E.; Hollerman, A. F.; Wiberg, N. Lehrbuch der Anorganischen Chemie; Walter de Gruyter GmbH & Co: Berlin, 2009.
109. Yocum, C. F. Coord. Chem. Rev. 2008, 252, 296-305
110. Charlot, M.-F.; Boussac, A.; Blondin, G. Biochim. Biophys. Acta 2005, 1708, 120-132
111. Hasegawa, K.; Ono, T. A.; Kusunoki, M. Bull. Chem. Soc. Jpn. 1999, 72, 1013-1023
112. DeRose, V. J.; Mukerji, I.; Latimer, M. J.; Yachandra, V. K.; Sauer, K.; Klein, M. P. J. Am. Chem. Soc. 1994, 116, 5239-5249
113. Hasegawa, K.; Ono, T.-A.; Inoue, Y.; Kusunoki, M. Chem. Phys. Lett. 1999, 300, 9-19
114. Britt, R. D.; Campbell, K. A.; Peloquin, J. M.; Gilchrist, M. L.; Aznar, C. P.; Dicus, M. M.; Robblee, J.; Messinger, J. Biochim. Biophys. Acta 2004, 1655, 158-171
115. Carrell, T. G.; Tyryshkin, A.; Dismukes, G. C. J. Biol. Inorg. Chem. 2002, 7, 2-22
116. Baldwin, M. J.; Stemmler, T. L.; Riggs-Gelasco, P. J.; Kirk, M. L.; Penner-Hahn, J. E.; Pecoraro, V. L. J. Am. Chem. Soc. 1994, 116, 11349-11356
117. Debus, R. J.; Strickler, M. A.; Walker, L. M.; Hillier, W. Biochemistry 2005, 44, 1367-1374
118. Chu, H.-A.; Hillier, W.; Debus, R. J. Biochemistry 2004, 43, 3152-3166
119. Debus, R. J.; Aznar, C.; Campbell, K. A.; Gregor, W.; Diner, B. A.; Britt, R. D. Biochemistry 2003, 42, 10600-10608
120. A).
121. Schäfer, K. O. Doctoral Thesis, Technische Universität Berlin, 2002.
122. Griffith, J. S. The theory of Transition-Metal Ions; Cambridge University Press: London, 1971.
123. Abragram, A.; Bleaney, B. Electron Paramagnetic Resonance of Transition Metal Ions; Clarendon Press: Oxford, 1970.
124. Carrington, A.; McLachlan, A. D. Introduction to Magnetic Resonance; 1st ed.; Harper and Row: New York, 1967.
125. Gerritsen, H. J.; Sabisky, E. S. Phys. Rev. 1963, 132
126. Campbell, K. A.; Force, D. A.; Nixon, P. J.; Dole, F.; Diner, B. A.; Britt, R. D. J. Am. Chem. Soc. 2000, 122, 3754-3761
127. Mossin, S.; Weihe, H.; Barra, A.-L. J. Am. Chem. Soc. 2002, 124, 8764-8765
128. Schinzel, S.; Schraut, J.; Arbuznikov, A.; Siegbahn, P. E. M.; Kaupp, M. Chem.-Eur. J. 2010, 16, 10424-10438
129. Boussac, A.; Girerd, J.-J.; Rutherford, A. Biochemistry 1996, 35, 6984-6989
130. Zimmermann, J. L.; Rutherford, A. W. Biochemistry 1986, 25, 4609-4615
131. Åhrling, K. A.; Evans, M. C. W.; Nugent, J. H. A.; Pace, R. J. Biochim. Biophys. Acta, Bioenerg. 2004, 1656, 66-77
132. Force, D. A.; Randall, D. W.; Lorigan, G. A.; Clemens, K. L.; Britt, R. D. J. Am. Chem. Soc. 1998, 120, 13321-13333
133. Åhrling, K. A.; Evans, M. C. W.; Nugent, J. H. A.; Ball, R. J.; Pace, R. J. Biochemistry 2006, 45, 7069-7082
134. Pace, R. J.; Smith, P. J.; Bramley, R.; Stehlik, D. Biochim. Biophys. Acta 1991, 1058, 161-170
135. Messinger, J. Phys. Chem. Chem. Phys. 2004, 6, 4764-4771
136. Petrie, S.; Stranger, R.; Pace, R. J. Angew. Chem. 2010, 122, 4329-4332