1G5K | pdb_00001g5k

NMR Structrure of d(CCAAAGXACTGGG), X is a 3'-phosphoglycolate, 5'-phosphate gapped lesion, 10 structures

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	PECOSY			40 mM NaHPO4	6.9	1.0 atm	293.15
2	TOCSY			40 mM NaHPO4	6.9	1.0 atm	293.15
3	NOESY			40 mM NaHPO4	6.9	1.0 atm	293.15
4	HSQC			40 mM NaHPO4	6.9	1.0 atm	293.15
5	GE-HSQC			40 mM NaHPO4	6.9	1.0 atm	293.15

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1		custom build	500
2		custom build	600
3		custom build	750

NMR Refinement
Method	Details	Software
CONJUGATE GRADIENT MINIMIZATION		XPLOR

NMR Ensemble Information
Conformer Selection Criteria	minimum rmsd and nmr constraints violation
Conformers Calculated Total Number	10
Conformers Submitted Total Number	10

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	XPLOR	3.851	Brunger
2	structure solution	XPLOR	3.851	Brunger

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.