6ZV1

TFIIS N-terminal domain (TND) from human IWS1


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
22D 1H-13C HSQC0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
33D HNCACB0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
43D CBCA(CO)NH0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
53D HNCO0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
83D HBHA(CO)NH0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
73D HCCH-TOCSY0.6 mM [U-13C; U-15N] IWS1, 25 mM [U-2H] TRIS, 300 mM sodium chloride, 1 mM TCEP95% H2O/5% D2O225 mM7.41 atm298Bruker AVANCE III HD 850
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE III HD850
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsCYANA
molecular dynamicsYASARA
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations
Conformers Calculated Total Number100
Conformers Submitted Total Number40
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1chemical shift assignmentSparkyGoddard
2structure calculationCYANAGuntert, Mumenthaler and Wuthrich
3refinementYASARAYASARA