› 3qba

Hybrid

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray)

Released:
DOI: 10.2210/pdb3qba/pdb
PDB entry 3qba coloured by chain, front view.
PDB entry 3qba coloured by chain, side view.
PDB entry 3qba coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.
Fenn TD, Schnieders MJ, Mustyakimov M, Wu C, Langan P, Pande VS, Brunger AT
Structure 19 523-33 (2011)
PMID: 21481775

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-116753 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
Z-DNA Chains: A, B
Molecule details ›
Chains: A, B
Length: 6 nucleotides
Theoretical weight: 1.73 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand DOD 41 x DOD
No modified residues

Experiments and Validation Details

Experimental Method: Neutron Diffraction, X-ray diffraction
X-ray source: RIGAKU FR-E DW
Spacegroup: P212121
Unit cell:
a: 17.9Å b: 30.59Å c: 44.61Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.194 0.236
Expression system: Not provided

Quick links

Citations

6 review citations

Advances, interactions, and future developments in the CNS, Phenix, and Rosetta structural biology software systems.
Adams et al. (2013)
5 more

7 mentions without citation

Fifteen years of the Protein Crystallography Station: the coming of age of macromolecular neutron crystallography.
Chen et al. (2017)
6 more