4LTJ

Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (5/7)

Summary for 4LTJ

• Entry DOI: 10.2210/pdb4ltj/pdb
• Related: 3QRN 4LTF 4LTG 4LTH 4LTI 4LTK 4LTL
• Descriptor: DNA, Ru(tap)2(dppz) complex, BARIUM ION, ... (4 entities in total)
• Functional Keywords: dehydration, hc1b, kinking, ruthenium, dna
• Total number of polymer chains: 1
• Total formula weight: 3931.05

Authors

Hall, J.P.,Sanchez-Weatherby, J.,Cardin, C.J. (deposition date: 2013-07-23, release date: 2014-09-24, Last modification date: 2023-09-20)

Primary citation

Hall, J.P.,Sanchez-Weatherby, J.,Alberti, C.,Quimper, C.H.,O'Sullivan, K.,Brazier, J.A.,Winter, G.,Sorensen, T.,Kelly, J.M.,Cardin, D.J.,Cardin, C.J.
Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136:17505-17512, 2014

PubMed Abstract: Hydration-dependent DNA deformation has been known since Rosalind Franklin recognized that the relative humidity of the sample had to be maintained to observe a single conformation in DNA fiber diffraction. We now report for the first time the crystal structure, at the atomic level, of a dehydrated form of a DNA duplex and demonstrate the reversible interconversion to the hydrated form at room temperature. This system, containing d(TCGGCGCCGA) in the presence of Λ-[Ru(TAP)2(dppz)](2+) (TAP = 1,4,5,8-tetraazaphenanthrene, dppz = dipyrido[3,2-a:2',3'-c]phenazine), undergoes a partial transition from an A/B hybrid to the A-DNA conformation, at 84-79% relative humidity. This is accompanied by an increase in kink at the central step from 22° to 51°, with a large movement of the terminal bases forming the intercalation site. This transition is reversible on rehydration. Seven data sets, collected from one crystal at room temperature, show the consequences of dehydration at near-atomic resolution. This result highlights that crystals, traditionally thought of as static systems, are still dynamic and therefore can be the subject of further experimentation.

PubMed: 25393319
DOI: 10.1021/ja508745x

Experimental method

X-RAY DIFFRACTION (1.8 Å)