Barium in PDB 3qrn: X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggcgccga)at High Resolution

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggcgccga)at High Resolution, PDB code: 3qrn was solved by C.J.Cardin, J.P.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.93 / 1.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.320, 42.320, 39.870, 90.00, 90.00, 90.00
R / Rfree (%)	10.7 / 12.4

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggcgccga)at High Resolution also contains other interesting chemical elements:

Ruthenium

(Ru)

1 atom

The binding sites of Barium atom in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggcgccga)at High Resolution (pdb code 3qrn). 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)]2+ Bound to D(Tcggcgccga)at High Resolution, PDB code: 3qrn:

Barium binding site 1 out of 1 in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggcgccga)at High Resolution


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)]2+ Bound to D(Tcggcgccga)at High Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba12 b:10.1 occ:1.00 O A:HOH59 2.8 11.8 1.0 O A:HOH35 2.8 20.4 1.0 O A:HOH42 2.8 12.4 1.0 O A:HOH138 2.8 21.8 1.0 O A:HOH14 2.8 11.8 1.0 O A:HOH55 2.8 13.9 1.0 O6 A:DG4 2.9 10.3 1.0 N7 A:DG3 3.0 9.7 1.0 N7 A:DG4 3.1 10.8 1.0 C6 A:DG4 3.6 9.6 1.0 C8 A:DG3 3.6 10.2 1.0 C5 A:DG4 3.7 9.7 1.0 C5 A:DG3 4.1 8.9 1.0 C8 A:DG4 4.3 10.6 1.0 O6 A:DG3 4.5 10.3 1.0 OP2 A:DG3 4.7 12.5 1.0 C6 A:DG3 4.7 9.9 1.0 O A:HOH83 4.7 24.2 1.0 O A:HOH136 4.9 30.0 1.0 N1 A:DG4 4.9 9.6 1.0 N9 A:DG3 4.9 9.3 1.0 C4 A:DG4 5.0 9.8 1.0

J.P.Hall, K.O'sullivan, A.Naseer, J.A.Smith, J.M.Kelly, C.J.Cardin. Structure Determination of An Intercalating Ruthenium Dipyridophenazine Complex Which Kinks Dna By Semiintercalation of A Tetraazaphenanthrene Ligand. Proc.Natl.Acad.Sci.Usa V. 108 17610 2011.
ISSN: ISSN 0027-8424
PubMed: 21969542
DOI: 10.1073/PNAS.1108685108