Barium in PDB 6r6d: [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2

The structure of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2, PDB code: 6r6d was solved by K.T.Mcquaid, 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)	33.03 / 1.84
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.704, 46.704, 34.308, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 18.7

The structure of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2 also contains other interesting chemical elements:

Ruthenium	(Ru)	1 atom
Sodium	(Na)	1 atom

The binding sites of Barium atom in the [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2 (pdb code 6r6d). 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 [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2, PDB code: 6r6d:

Barium binding site 1 out of 1 in the [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:40.2 occ:1.00 O A:HOH210 2.7 57.2 1.0 O A:HOH201 2.7 37.1 1.0 O A:HOH202 2.7 38.3 1.0 O A:HOH203 2.8 41.2 1.0 O6 A:DG4 2.8 41.4 1.0 N7 A:DG3 2.9 38.7 1.0 O A:HOH218 2.9 46.5 1.0 N7 A:DG4 3.1 35.0 1.0 C6 A:DG4 3.5 36.4 1.0 C8 A:DG3 3.6 38.9 1.0 C5 A:DG4 3.7 34.1 1.0 C5 A:DG3 4.1 39.3 1.0 C8 A:DG4 4.3 40.8 1.0 O6 A:DG3 4.4 39.3 1.0 OP2 A:DG3 4.5 45.5 1.0 C6 A:DG3 4.6 36.8 1.0 N9 A:DG3 4.9 38.2 1.0 N1 A:DG4 4.9 39.2 1.0

K.T.Mcquaid, J.P.Hall, C.J.Cardin. Structure of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Tcggcgccga)2 To Be Published.