1G6Z | pdb_00001g6z

SOLUTION STRUCTURE OF THE CLR4 CHROMO DOMAIN

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	0.8 mM protein U-15N, 13C; 10 % (w/v) sorbitol; 200 mM NaCl; 50 mM Tris; 0.5 mM EDTA;	95% H2O/5% D2O		6.5	ambient	25
2	3D_15N-separated_NOESY	0.8 mM protein U-15N, 13C; 10 % (w/v) sorbitol; 200 mM NaCl; 50 mM Tris; 0.5 mM EDTA;	95% H2O/5% D2O		6.5	ambient	25
3	3D_13C-separated_NOESY	0.8 mM protein U-15N, 13C; 10 % (w/v) sorbitol U-2H; 200 mM NaCl; 50 mM Tris; 0.5 mM EDTA;	100% D2O		6.5	ambient	25
4	1H-15N IPAP-HSQC	0.8 mM protein U-15N, 13C; 10 % (w/v) sorbitol; 200 mM NaCl; 50 mM Tris; 0.5 mM EDTA;	95% H2O/5% D2O		6.5	ambient	25

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	UNITYPLUS	600
2	Varian	UNITYPLUS	500

NMR Refinement
Method	Details	Software
molecular dynamics/simulated annealing torsion angle dynamics cartesian dynamics		VNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	50
Conformers Submitted Total Number	25
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1b	Varian
2	processing	NMRPipe	1.7	Delaglio
3	data analysis	ANSIG	3.3	Kraulis
4	refinement	CNS	1.0	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.