8FPT | pdb_00008fpt

STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE

SOLID-STATE NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D CC DARR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
30	2D CC SPC7	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
29	3D NCACX DARR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
28	3D NCOCX DARR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
27	3D CANCO	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
26	2D CC DARR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
25	2D NCA	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
24	2D NCO	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
23	3D NCACX DARR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
22	3D NCOCX DARR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
21	3D NCOCA SPC5	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
20	3D CANCO	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
19	2D CC PAR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
18	3D CCC RFDR THEN PAR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
17	3D NCACX PAR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
16	1D C FSREDOR	66 % [U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
15	3D CANH	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
14	3D CONH	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
13	3D CA[CO]NH RFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
12	3D CO[CA]NH RFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
11	3D CAN[H]H RFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
10	3D CA[HH]NH RFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
9	3D N[HH]NH RFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
8	4D HN[HH]NH RFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
7	2D CACO CTUC-COSY	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 750
6	2D CC FPRFDR	66 % [U-100% 2H; U-100% 13C; U-100% 15N] ALPHA-SYNUCLEIN	34% H2O, BACK-EXCHANGED IN 99.8% D2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
5	2D CC DARR	20 % [U-25% 2-13C GLYCEROL; U-100% 15N] labelled ALPHA-SYNUCLEIN, 80 % ALPHA-SYNUCLEIN	H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
4	2D NCA	20 % [U-25% 2-13C GLYCEROL; U-100% 15N] labelled ALPHA-SYNUCLEIN, 80 % ALPHA-SYNUCLEIN	H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500
3	2D NCO	20 % [U-25% 2-13C GLYCEROL; U-100% 15N] labelled ALPHA-SYNUCLEIN, 80 % ALPHA-SYNUCLEIN	H2O	100 mM NACL mM	7.6	AMBIENT	273	Varian VNMRS 500

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	VNMRS	750
2	Varian	VNMRS	500

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	256
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure calculation	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
2	refinement	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
3	chemical shift assignment	NMRFAM-SPARKY		LEE, TONELLI and MARKLEY
4	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
5	data analysis	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
6	peak picking	NMRFAM-SPARKY		LEE, TONELLI, and MARKLEY

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

Prepare Data

Validate Data

Deposit Data

Help and Resources

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left:-5px; } 8FPT | pdb_00008fpt

STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE

8FPT | pdb_00008fpt