1QGP | pdb_00001qgp

NMR STRUCTURE OF THE Z-ALPHA DOMAIN OF ADAR1, 15 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	NOESY (1H	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
2	13C	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
3	15N)	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
4	15N TOCSY-HSQC	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
5	2D TOCSY	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
6	HCCHTOCSY	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
7	HNCA	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
8	HN(CO)CA	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
9	HNCACB	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
10	HN(CO)CACB	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
11	HNCO	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298
12	HN(CA)CO	NA-PHOSPHATE		0.137 M NACL	5.0	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX750	750
2	Bruker	DRX600	600
3	Bruker	SELF-BUIL	500

NMR Refinement
Method	Details	Software
molecular dynamics		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION AND LOWEST ENERGY
Conformers Calculated Total Number	200
Conformers Submitted Total Number	15
Representative Model	1 (n/a)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.1	BRUNGER
2	structure solution	X-PLOR	3.1

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.