7C4O

Solution structure of the Orange domain from human protein HES1


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1.5 mM [U-99% 13C; U-99% 15N] orange domain90% H2O/10% D2O150 mM6.01 atm298Bruker AVANCE 800
23D CBCA(CO)NH1.5 mM [U-99% 13C; U-99% 15N] orange domain90% H2O/10% D2O150 mM6.01 atm298Bruker AVANCE 800
33D HNCACB1.5 mM [U-99% 13C; U-99% 15N] orange domain90% H2O/10% D2O150 mM6.01 atm298Bruker AVANCE 800
43D 1H-15N NOESY1.5 mM [U-99% 13C; U-99% 15N] orange domain90% H2O/10% D2O150 mM6.01 atm298Bruker AVANCE 800
53D HCCH-TOCSY1.5 mM [U-99% 13C; U-99% 15N] orange domain90% H2O/10% D2O150 mM6.01 atm298Bruker AVANCE 800
63D 1H-13C NOESY aliphatic1.5 mM [U-99% 13C; U-99% 15N] orange domain90% H2O/10% D2O150 mM6.01 atm298Bruker AVANCE 800
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
simulated annealingX-PLOR NIH
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (medoid)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpinBruker Biospin
2processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3data analysisSparkyGoddard
4structure calculationX-PLOR NIHSchwieters, Kuszewski, Tjandra and Clore