Experiment: 2MWY

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
2	2D 1H-15N HSQC	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
3	2D 1H-13C HSQC aliphatic	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
4	2D 1H-13C HSQC aromatic	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
5	3D HNCACB	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
6	3D CBCA(CO)NH	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
7	3D HNCA	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
8	3D HCCH-TOCSY	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
9	3D H(CCO)NH	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
10	3D 1H-13C NOESY aliphatic	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
11	3D 1H-15N NOESY	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
12	3D 1H-13C NOESY aromatic	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
13	2D 1H-1H TOCSY	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298
14	2D 1H-1H NOESY	1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2	90% H2O/10% D2O	200	7.0	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	800

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

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert P.

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.