Barium in PDB 4m3i: X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg)

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg), PDB code: 4m3i was solved by H.Niyazi, S.Teixeira, E.Mitchell, T.Forsyth, C.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.67 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.279, 53.279, 33.709, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 27.7

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) also contains other interesting chemical elements:

Ruthenium

(Ru)

2 atoms

The binding sites of Barium atom in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) (pdb code 4m3i). 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 X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg), PDB code: 4m3i:

Barium binding site 1 out of 1 in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba103 b:57.1 occ:1.00 N7 A:DG3 2.8 51.9 1.0 O6 A:DG4 2.9 52.6 1.0 N7 A:DG4 3.0 55.3 1.0 O4 A:DT5 3.1 59.7 1.0 C8 A:DG3 3.5 51.0 1.0 C6 A:DG4 3.6 48.9 1.0 C5 A:DG4 3.6 46.9 1.0 C5 A:DG3 4.0 47.7 1.0 C4 A:DT5 4.1 52.7 1.0 C8 A:DG4 4.2 49.5 1.0 O6 A:DG3 4.4 51.5 1.0 OP2 A:DG3 4.5 46.2 1.0 C7 A:DT5 4.6 54.4 1.0 C6 A:DG3 4.6 46.1 1.0 C5 A:DT5 4.8 49.2 1.0 N9 A:DG3 4.8 47.5 1.0 N1 A:DG4 4.9 43.6 1.0 C4 A:DG4 5.0 48.5 1.0

H Niyazi, S Teixeira, E Mitchell, T Forsyth, C Cardin. X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz-{ME2})]2+ Bound to D(Ccggtaccgg) To Be Published.