2KVD

Mesencephalic astrocyte-derived neurotrophic factor (MANF)

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-15N NOESY	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
2	3D 1H-13C NOESY	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
3	3D HNCACB	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
4	3D CBCA(CO)NH	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
5	3D HNCA	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
6	3D HN(CO)CA	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
7	3D HCAN	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
8	3D HCA(CO)N	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
9	3D HCCH-TOCSY	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
10	3D HCCH-COSY	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
11	3D H(CCO)NH	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
12	3D C(CO)NH	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
13	2D 1H-15N HSQC	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
14	2D 1H-13C HSQC	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
15	2D (HB)CB(CGCD)HD	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308
16	2D (HB)CB(CGCDCE)HE	1mM [U-98% 13C; U-98% 15N] MANF; 93% H2O/7% D2O	93% H2O/7% D2O	50	6.8	AMBIENT	308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	Unity Inova	600
2	Varian	Unity Inova	800

NMR Refinement
Method	Details	Software
TORSION ANGLE DYNAMICS, simulated annealing, TORSION ANGLE DYNAMICS		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	400
Conformers Submitted Total Number	15
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	automated noe assignment	CYANA	2.0.26	P.GUNTERT ET AL.
2	structure solution	AMBER	8.0	Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm
3	refinement	AMBER	8.0	Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, and Kollm

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 R01GM133198.