ISDA: 2EPP

SOLUTION NMR

NMR Experiment

Experiment	Type	Sample Contents	Ionic Strength	Solvent	pH	Pressure	Temprature (K)
1	3D_15N-separated_NOESY	0.89mM 13C-15N PROTEIN, 20mM d-Tris-HCl(pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O, 0.05mM ZnCl2, 1mM IDA	120mM	90% H2O/10% D2O	7.0	ambient	298
2	3D_13C-separated_NOESY	0.89mM 13C-15N PROTEIN, 20mM d-Tris-HCl(pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O, 0.05mM ZnCl2, 1mM IDA	120mM	90% H2O/10% D2O	7.0	ambient	298

NMR Spectrometer Information

Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800

NMR Refinement

Method	Details	Software
torsion angle dyanamics, simulated annealing	?	1

NMR Ensemble Information

Conformer Selection Criteria	structures with the least restraint violations, structures with the lowest energy, 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	collection	3.5	XwinNMR	Bruker
2	processing	20060702	NMRPipe	Delaglio,F.
3	data analysis	5.0.4	NMRView	Johnson,B.A.
4	data analysis	0.9820	KUJIRA	Kobayashi,N.
5	structure solution	2.1	CYANA	Guntert,P.
6	refinement	2.1	CYANA	Guntert,P.