Barium in PDB 4iii: Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution

The structure of Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution, PDB code: 4iii 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)	28.93 / 1.02
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.340, 42.340, 39.630, 90.00, 90.00, 90.00
R / Rfree (%)	10.1 / 11.4

The structure of Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution also contains other interesting chemical elements:

Ruthenium	(Ru)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Barium atom in the Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution (pdb code 4iii). 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(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution, PDB code: 4iii:

Barium binding site 1 out of 1 in the Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution


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(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:11.2 occ:1.00 O A:HOH204 2.8 13.5 1.0 O A:HOH213 2.8 24.5 1.0 O A:HOH202 2.8 12.8 1.0 O A:HOH201 2.8 13.8 1.0 O A:HOH231 2.8 22.6 1.0 O6 A:DG4 2.8 11.2 1.0 N7 A:DG3 2.9 10.7 1.0 N7 A:DG4 3.1 11.9 1.0 C6 A:DG4 3.6 10.8 1.0 H8 A:DG3 3.6 10.8 1.0 C8 A:DG3 3.6 11.2 1.0 C5 A:DG4 3.7 11.0 1.0 C5 A:DG3 4.1 10.1 1.0 C8 A:DG4 4.3 12.3 1.0 H2' A:DC2 4.4 12.4 1.0 O6 A:DG3 4.5 11.2 1.0 O A:HOH280 4.6 41.5 1.0 H8 A:DG4 4.7 12.2 1.0 OP2 A:DG3 4.7 13.7 1.0 C6 A:DG3 4.7 10.5 1.0 O A:HOH237 4.8 28.8 1.0 O A:HOH256 4.9 36.9 1.0 N1 A:DG4 4.9 11.0 1.0 N9 A:DG3 4.9 10.2 1.0

J.P.Hall, H.Beer, K.Buchner, D.J.Cardin, C.J.Cardin. Preferred Orientation in An Angled Intercalation Site of A Chloro-Substituted Lambda-[Ru(Tap)2(Dppz)]2+ Complex Bound to D(Tcggcgccga)2. Philos Trans A Math Phys Eng V. 371 20525 2013SCI.
ISSN: ISSN 1364-503X
PubMed: 23776304
DOI: 10.1098/RSTA.2012.0525