Experiment: 2M6B

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 1H-15N NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
2	3D 1H-13C NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
3	3D HNCO	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
4	3D HNCA	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
5	3D HN(CO)CA	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
6	3D CBCA(CO)NH	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
7	3D HNCACB	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
8	3D HCCH-TOCSY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
9	3D 1H-15N NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
10	3D 1H-15N NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
11	3D 1H-15N NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
12	3D 1H-15N NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313
13	3D 1H-15N NOESY	280 uM protein	95% H2O/5% D2O		5.8	ambient	313

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE	700
3	Bruker	AVANCE	800
4	Bruker	AVANCE	900

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	15
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA	3.0	Guntert, P. et al.

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.