Experiment: 2YKA

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	HSQC	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
2	HNCA	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
3	CBCA(CO)NH	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
4	HNCACB	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
5	HNCO	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
6	HN(CA)CO	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
7	TOCSY-HSQC	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
8	HBHA(CO)NH	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
9	HCCH-TOCSY	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
10	CCH-TOCSY	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
11	NOESY-HSQC HSQC	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
12	HNCA	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
13	CBCA(CO)NH	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
14	HNCACB	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
15	HNCO	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
16	TOCSY- HSQC	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
17	HBHA(CO)NH	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
18	NOESY- HSQC	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0
19	FILTERED 13C- NOESY	90% WATER/10% D2O		50 mM	6.2	1.0 atm	303.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	600
2	Varian	INOVA	800

NMR Refinement
Method	Details	Software
torsion angle dynamics		CYANA

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	NONE

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA	2.1	P. GUNTERT ET AL.
2	structure solution	CYANA	2.1

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.