2AXL

Solution structure of a multifunctional DNA- and protein-binding domain of human Werner syndrome protein


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1D_15N-separated_NOESY0.35 mM in KPi buffer (pH7.4) 25 mM NaCl92.5% H2O/7.5% D2O25 mM KPi + 25 mM NaCl7.41 atm295.2
23D_15N-separated_NOESY0.35 mM in KPi buffer (pH7.4) 25 mM NaCl92.5% H2O/7.5% D2O25 mM KPi + 25 mM NaCl7.41 atm295.2
34D_13C-separated_NOESY0.35 mM in KPi buffer (pH7.4) 25 mM NaCl92.5% H2O/7.5% D2O25 mM KPi + 25 mM NaCl7.41 atm295.2
44D_13C/15N-separated_NOESY0.35 mM in KPi buffer (pH7.4) 25 mM NaCl92.5% H2O/7.5% D2O25 mM KPi + 25 mM NaCl7.41 atm295.2
5HNHA0.35 mM in KPi buffer (pH7.4) 25 mM NaCl92.5% H2O/7.5% D2O25 mM KPi + 25 mM NaCl7.41 atm295.2
6HNCG_arom, HN(CO)CG_arom0.35 mM in KPi buffer (pH7.4) 25 mM NaCl92.5% H2O/7.5% D2O25 mM KPi + 25 mM NaCl7.41 atm295.2
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealing torsion angle dynamicsxplor-nih
NMR Ensemble Information
Conformer Selection Criteriaback calculated data agree with experimental NOESY spectrum,structures with acceptable covalent geometry
Conformers Calculated Total Number40
Conformers Submitted Total Number10
Representative Model1 (fewest violations)
Additional NMR Experimental Information
DetailsHCCH-COSY was optimized for detection for CH3 groups, 2D spin echo for 1H-13C HSQC selected for aromatic and Carbonyl containing residues
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionxplor-nihXPLOR-NIHSchwieters, C.D., Kuszewski, J., Tjandra, N. & Clore, G.M. (2003)
2refinementxplor-nihXPLOR-NIHSchwieters, C.D., Kuszewski, J., Tjandra, N. & Clore, G.M. (2003)