SOLID-STATE NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 1D 13C CP 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
2 1D 13C DP 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
3 1D 15N CP 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
4 1D 15N DP 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
5 2D 13C-13C DARR 50 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
19 2D 13C-13C DARR 125 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
18 2D 13C-13C DARR 500 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
17 2D 15N-13CA 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
16 2D 15N-{13CA}-13CX DARR 50 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
15 3D 15N-13CA-13CX DARR 50 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
14 3D 15N-13CO-13CX DARR 50 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
13 3D 13CA-15N-13CO 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
12 3D 13CA-15N-{13CO}-13CX DARR 50 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
11 3D 13C-13C-13C DARR 50, 500 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
10 3D 13C-13C-13C DARR 50, 500 ms 1 mM [U-100% 13C; U-100% 15N] Alpha-synuclein, 36% H2O 50 mM sodium phosphate 36% H2O 7.5 1 273
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
1 Varian VNMRS 750
NMR Refinement
Method Details Software
DGSA-distance geometry simulated annealing ? 7
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 500
Conformers Submitted Total Number 10
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
2 structure calculation 3.66 X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
3 chemical shift assignment 3.196 NMRFAM-SPARKY Lee, Tonelli, Markley
4 peak picking 3.196 NMRFAM-SPARKY Lee, Tonelli, Markley
5 data analysis ? NMRDraw Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
6 collection OVJ 3 VnmrJ Varian
7 refinement ? X-PLOR NIH Schwieters, Kuszewski, Tjandra and Clore
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