Barium in PDB 4ms5: Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg

The structure of Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg, PDB code: 4ms5 was solved by J.P.Hall, C.J.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.01 / 2.23
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	47.610, 47.610, 34.600, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 24.5

The structure of Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Ruthenium	(Ru)	1 atom

The binding sites of Barium atom in the Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg (pdb code 4ms5). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg, PDB code: 4ms5:

Barium binding site 1 out of 1 in the Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Lambda-[Ru(Tap)2(Dppz-11,12-(F)2)]2+ Bound to Ccggatccgg within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:36.9 occ:1.00 N7 A:DG3 3.1 32.0 1.0 O6 A:DG4 3.1 42.8 1.0 N7 A:DG4 3.1 38.0 1.0 C6 A:DG4 3.7 37.4 1.0 C5 A:DG4 3.7 33.3 1.0 C8 A:DG3 3.8 32.3 1.0 C5 A:DG3 4.2 28.5 1.0 C8 A:DG4 4.2 33.0 1.0 O6 A:DG3 4.4 27.5 1.0 OP2 A:DG3 4.4 32.0 1.0 C6 A:DG3 4.7 29.2 1.0

J.P.Hall, K.O'sullivan, J.M.Kelly, C.J.Cardin. The Effects of Disubstitution on the Binding of Ruthenium Complexes to Dna To Be Published.