Experiment: 2MVI

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
2	2D 1H-13C HSQC	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
3	2D 1H-13C HMBC	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
4	2D 1H-1H TOCSY	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
5	2D 1H-15N-HSQC-TOCSY	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
6	2D 1H-13C-HSQC-TOCSY	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
7	2D 1H-13C-H2BC	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310
8	2D 1H-1H NOESY	1 mM protein	38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O			ambient	310

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
torsion angle dynamics, simulated annealing		TopSpin

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin	2.1	Bruker Biospin
2	processing	NMRPipe	2011.118.08.55	Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	processing	KUJIRA	0.9843	Naohiro Kobayashi
4	processing	NMRView		Johnson, One Moon Scientific
5	refinement	CYANA	3.0	Guntert, Mumenthaler and Wuthrich
6	structure solution	CYANA	3.0	Guntert, Mumenthaler and Wuthrich

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.