2lzk Experiments and Validation

Solution NMR

Source organism: Synthetic construct [32630]
Refinement method: molecular dynamics
Number of deposited models: 5 models
Chemical shifts: BMR18762  

Sample information

Author description:
NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing
Source organism: Synthetic construct [32630]
Expression system: Not provided

Validation information

 
Structure ensemble information
Refinement method: molecular dynamics
Number of calculated models: 500
Number of deposited models: 5 (structures with the least restraint violations)
Representative model: 1 (fewest violations)
 
Experimental NMR data
Chemical shifts: BMR18762  

Experimental information

Sample 1
Contents: 1.5 mM DNA duplex, 10 mM sodium phosphate, 100 mM sodium chloride, 0.025 uM DSS, 100% D2O Recorded spectra: 2D 1H-1H NOESY, 2D 1H-1H TOCSY

Sample 2
Contents: 1.5 mM DNA duplex, 10 mM sodium phosphate, 100 mM sodium chloride, 0.025 uM DSS, 90% H2O/10% D2O Recorded spectra: 2D 1H-1H NOESY

Samples and spectra
NMR spectrometers used
Bruker Avance 500 MHz