2I0N

Structure of Dictyostelium discoideum Myosin VII SH3 domain with adjacent proline rich region

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	15N-edited NOESY-HSQC	protein U-15N, 20mM phosphate buffer, 100mM NaCl, 90% H2O, 10% D2O	90% H2O/10% D2O	20mM NaPO4, 100mM NaCl	6.5	1 atm	298
2	13C-edited NOESY-HSQC	protein U-13C, 20mM phosphate buffer, 100mM NaCl, 90% H2O, 10% D2O	90% H2O/10% D2O	20mM NaPO4, 100mM NaCl	6.5	1 atm	298
3	2D NOESY	unlabeled sample, 20mM phosphate buffer, 100mM NaCl	100% D2O	20mM NaPO4, 100mM NaCl	6.5	1 atm	298
4	15N-13C HNCA	protein U-15N,13C, 20mM phosphate buffer, 100mM NaCl, 90% H2O, 10% D2O	90% H2O/10% D2O	20mM NaPO4, 100mM NaCl	6.5	1 atm	298
5	15N-13C HNCOCA	protein U-15N,13C, 20mM phosphate buffer, 100mM NaCl, 90% H2O, 10% D2O	90% H2O/10% D2O	20mM NaPO4, 100mM NaCl	6.5	1 atm	298
6	15N-13C HNCO	protein U-15N,13C, 20mM phosphate buffer, 100mM NaCl, 90% H2O, 10% D2O	90% H2O/10% D2O	20mM NaPO4, 100mM NaCl	6.5	1 atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	800
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
Simulated annealing in XPLOR		NMRPipe

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	21
Conformers Submitted Total Number	20
Representative Model	1 (fewest violations)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	processing	NMRPipe	1995	Delaglio et al.
2	refinement	X-PLOR	3.851	Brunger

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.