1DDB

STRUCTURE OF MOUSE BID, NMR, 20 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	1H-15N)HSQC			150mM	6.0	1 atm	318
2	(1H-13C)HSQC			150mM	6.0	1 atm	318
3	HSQC-J			150mM	6.0	1 atm	318
4	2D AND 3D 15N-NOESY-HMQC AND TOCSY-HMQC			150mM	6.0	1 atm	318
5	13C-NOESY-HMQC			150mM	6.0	1 atm	318
6	HCCH-TOCSY			150mM	6.0	1 atm	318
7	HNCA			150mM	6.0	1 atm	318
8	HN(CO)CA			150mM	6.0	1 atm	318
9	CBCANH			150mM	6.0	1 atm	318
10	CBCA(CO)NH			150mM	6.0	1 atm	318
11	HNCO			150mM	6.0	1 atm	318
12	HN(CA)CO			150mM	6.0	1 atm	318
13	(1H)15N-NOE			150mM	6.0	1 atm	318
14	H2O-SELECTIVE 15N-EDITED NOESY AND ROESY			150mM	6.0	1 atm	318
15	HYDROGEN-DEUTERIUM EXCHANGE			150mM	6.0	1 atm	318

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX600	600
2	Bruker	DMX500	500

NMR Refinement
Method	Details	Software
distance geometry		DYANA

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number	1000
Conformers Submitted Total Number	20

Additional NMR Experimental Information
Details	COORDINATES WERE CALCULATED FROM SOLUTION NMR DATA USING THE PROGRAM DYANA.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DYANA		GUNTERT,WUTHRICH
2	structure solution	XwinNMR
3	structure solution	XEASY
4	structure solution	DIANA
5	structure solution	DYANA
6	structure solution	THE ECEPP LIBRARY WAS USED

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.