SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
22D 1H-13C HSQC aliphatic0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
32D 1H-13C HSQC aromatic0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
43D HNCA0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
53D HN(CO)CA0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
63D HCCH-TOCSY0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
73D 13C,15N-filtered NOESY0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
84D 13C, 15N-edited NOESY0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 1 mM [U-98% 2H] DTT-2, 10 mM [U-98% 2H] HEPES-3, 1 mM EDTA-4, 1 mM sodium azide-5, 2 mM RhoGDI-695% H2O/5% D2O106.9ambient301
92D 1H-15N HSQC0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
102D 1H-13C HSQC aliphatic0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
112D 1H-13C HSQC aromatic0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
123D HNCA0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
133D HN(CO)CA0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
143D HCCH-TOCSY0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
153D 13C,15N-filtered NOESY0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
164D 13C, 15N-edited NOESY0.5 mM [U-99% 13C; U-99% 15N] RhoGDI-7, 2 mM p75NTR DD-8, 1 mM [U-98% 2H] DTT-9, 10 mM [U-98% 2H] HEPES-10, 1 mM EDTA-11, 1 mM sodium azide-1295% H2O/5% D2O106.9ambient301
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE800
NMR Refinement
MethodDetailsSoftware
molecular dynamicsNMRPipe
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2data analysisNMRViewJohnson, One Moon Scientific
3structure solutionCYANAGuntert, Braun and Wuthrich
4refinementAmberCase, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman