MAS NMR structure of a microcrystalline Cd-bacteriochlorophyll d analogue.
Solid-state NMR is an emerging method to obtain structural information in molecular biology and nanotechnology for systems that are inaccessible to solution NMR or diffraction methods. While solution NMR generally converges upon families of structures in a bottom-up approach, solid NMR structure determination will have to take into account the top-down constraints that follow from the additional requirement that the entire 3D space must be packed in an orderly fashion. We used MAS NMR together with molecular modeling calculations in steps to establish a detailed model of the local crystal structure of an aggregate of uniformly 13C- and 15N-labeled Cd-chlorophyllide d, a model for the chlorosomal antennae. In this way we converge upon a space group P21 with a = 14.3 A, b = 27.3 A, c = 6.4 A, beta = 147.2 degrees and Z = 2.
Leiden Institute of Chemistry, Einsteinweg 55, 2300 RA Leiden, The Netherlands.
Ido
I
de Boer
Jörg
J
Matysik
Masaaki
M
Amakawa
Shiki
S
Yagai
Hitoshi
H
Tamiaki
Alfred R
AR
Holzwarth
Huub J M
HJ
de Groot
D001429:Bacteriochlorophylls / Q000737:chemistry*; D002104:Cadmium / Q000737:chemistry*; D003460:Crystallization; D007554:Isotopes; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D009942:Organometallic Compounds / Q000737:chemistry*
D001429:Bacteriochlorophylls; D007554:Isotopes; D009942:Organometallic Compounds; C107900:bacteriochlorophyll b; D002104:Cadmium