1YEZ

Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30.

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_13C-separated_NOESY	2mM MaR30 U-13C,15N, 0.02% NaN3, 10mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES	5% D2O/95% H2O	100 mM NaCl	6.5	atmospheric atm	293
2	3D_15N-separated_NOESY	2mM MaR30 U-13C,15N, 0.02% NaN3, 10mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES	5% D2O/95% H2O	100 mM NaCl	6.5	atmospheric atm	293
3	3D_13C-separated_NOESY	0.56mM MaR30 U-13C,15N, 0.02% NaN3, 10mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES	100% D2O	100 mM NaCl	6.5	atmospheric atm	293
4	Hi-res CH-HSQC, HcCH-COSY	0.56mM MaR30 U-13C,15N, 0.02% NaN3, 10mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES	100% D2O	100 mM NaCl	6.5	atmospheric atm	293
5	Hi-res CH-HSQC (stereo V and L Meth.), HNHA	0.78mM MaR30 U-15N,5% 13C 0.02% NaN3, 10mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES	5% D2O/95% H2O	100 mM NaCl	6.5	atmospheric atm	293
6	TR exp. backbone, TOCSYs, HcCH-COSY	2mM MaR30 U-13C,15N, 0.02% NaN3, 10mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES	5% D2O/95% H2O	100 mM NaCl	6.5	atmospheric atm	293

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	600
2	Bruker	Avance	500

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	56
Conformers Submitted Total Number	10
Representative Model	1 (lowest target function)

Additional NMR Experimental Information
Details	CS assign.: Backbone AutoAssign, sidechain HcCH-COSY and TOCSYs. AutoStructure for noesy assign. Hyper Dihedral, Dyana, Xplor(nih), and CNS force-field for simulated annealing and RPF score calculation.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VNMR	6.1C	Varian
2	collection	XWINNMR	3.5	Bruker Biospin
3	processing	NMRPipe	2.1	Delaglio
4	data analysis	Sparky	3.91	Goddard
5	data analysis	AutoAssign	1.14	Zimmerman,Moseley,Montelione
6	refinement	AutoStructure	2.1.0	Huang,Montelione

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.