Calcium in PDB 7bsf: Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant)

The structure of Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant), PDB code: 7bsf was solved by J.Kondo, C.Cerretani, T.Vosch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.43 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	23.958, 33.807, 52.523, 90.00, 90.00, 90.00
R / Rfree (%)	7.5 / 8.3

The structure of Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant) also contains other interesting chemical elements:

Silver

(Ag)

18 atoms

The binding sites of Calcium atom in the Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant) (pdb code 7bsf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant), PDB code: 7bsf:

Calcium binding site 1 out of 1 in the Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Nir-Emitting Dna-Stabilized AG16 Nanocluster (T5C Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca110 b:8.8 occ:1.00 OP1 A:DC8 2.3 8.2 1.0 O A:HOH217 2.3 16.6 1.0 O A:HOH222 2.4 14.5 1.0 O A:HOH218 2.4 11.2 1.0 P A:DC8 3.6 7.5 1.0 O3' A:DG7 3.6 7.1 1.0 H5'' A:DC8 3.9 7.9 1.0 H5' A:DC8 3.9 7.9 1.0 C5' A:DC8 4.3 6.6 1.0 O A:HOH203 4.4 18.0 1.0 O5' A:DC8 4.4 6.6 1.0 OP2 A:DC8 4.7 8.5 1.0 H4' A:DG7 4.8 9.0 1.0 C3' A:DG7 4.9 7.1 1.0

C.Cerretani, J.Kondo, T.Vosch. Mutation of Position 5 As A Crystal Engineering Tool For A Nir-Emitting Dna-Stabilized AG16 Nanocluster. Crystengcomm V. 22 8136 2020.
ISSN: ISSN 1466-8033
DOI: 10.1039/D0CE01225D