1OQA

Solution structure of the BRCT-c domain from human BRCA1


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY0.7mM BRCT-c; U-15N,13C, 20mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT99.98% D2O6.81 atm295.9
23D_15N-separated_NOESY1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT, 93% H2O, 7% D2O93% H2O/7% D2O6.81 atm295.9
32D NOESY1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT, 93% H2O, 7% D2O93% H2O/7% D2O6.81 atm295.9
42D NOESY1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT99.98% D2O6.81 atm295.9
52D TOCSY1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT99.98% D2O6.81 atm295.9
6DQF-COSY1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT99.98% D2O6.81 atm295.9
7HNHA1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT, 93% H2O, 7% D2O93% H2O/7% D2O6.81 atm295.9
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
2BrukerDMX750
NMR Refinement
MethodDetailsSoftware
simulated annealing, distance geometryXwinNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number250
Conformers Submitted Total Number15
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThe structure was determined using triple-resonance NMR spectroscopy.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1data analysisXwinNMR1.3Bruker Analytik GmbH
2processingAzara2.1Boucher, W.
3processingANSIG3.3Kraulis
4refinementX-PLOR3.8Brunger, A.
5refinementCNS1.0Brunger, A.