6ZOP

Structure of the cysteine-rich domain of PiggyMac, a domesticated PiggyBac transposase involved in programmed genome rearrangements

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HNCO	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
2	3D HNCACO	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
3	3D HNCA	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
4	3D HN(CO)CA	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
5	3D HNCACB	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
6	3D HN(COCA)CB	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
7	3D HCCH-TOCSY	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
8	3D HCCCONH	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 600
9	3D 1H-15N NOESY	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 800
10	3D 1H-13C NOESY	400 uM U-15N U-13C cysteine-rich domain of PiggyMac	90% H2O/10% D2O	25 mM	6.8	1 atm	293	Bruker AVANCE III HD 800

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III HD	600
2	Bruker	AVANCE III HD	800

NMR Refinement
Method	Details	Software
distance geometry		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	200
Conformers Submitted Total Number	15
Representative Model	1 (closest to the average)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure calculation	CYANA		Guntert P.
4	peak picking	CcpNmr Analysis		CCPN

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 R01GM133198.