6CGH

Solution structure of the four-helix bundle region of human J-protein Zuotin, a component of ribosome-associated complex (RAC)

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
2	3D HNCACB	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
3	3D CBCA(CO)NH	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
4	3D HBHA(CO)NH	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
8	3D H(CCO)NH	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
9	3D C(CO)NH	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
5	2D 1H-13C HSQC aliphatic	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
6	3D 1H-15N NOESY	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
7	3D 1H-13C NOESY	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
10	1H-15N IPAP HSQC	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Bruker AVANCE 750
11	1H-15N IPAP HSQC	200 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Bruker AVANCE 750
12	1H-15N IPAP HSQC	150 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Bruker AVANCE 600
13	2D 1H-15N HSQC	300 uM [U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 600
14	3D 1H-13C NOESY aromatic	300 uM [U-100% 13C; U-100% 15N] Mpp11 (346-432)	93% H2O/7% D2O	250 mM NaCl and 20 mM sodium phosphate mM	7.5	Ambient Pa	278	Varian VNS 900

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	VNS	600
2	Bruker	AVANCE	750
3	Bruker	AVANCE	600
4	Varian	VNS	900

NMR Refinement
Method	Details	Software
molecular dynamics	High temp molecular dynamics, simulated annealing, and torsion angle dynamics by PONDEROSA-C/S coupled with XPLOR-NIH (eefx force field)	PONDEROSA-C/S
molecular dynamics	High temp molecular dynamics, simulated annealing, and torsion angle dynamics by PONDEROSA-C/S coupled with XPLOR-NIH (eefx force field)	X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	TopSpin		Bruker Biospin
2	collection	VNMR		Varian
3	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4	peak picking	APES		Shin, Lee and Lee
5	peak picking	NMRFAM-SPARKY		Lee, Tonelli and Markley
6	chemical shift assignment	PINE		Bahrami, Markley, Assadi, and Eghbalnia
7	chemical shift assignment	PINE-SPARKY		Lee, Westler, Bahrami, Eghbalnia and Markley
8	structure calculation	PONDEROSA-C/S		Lee, Stark and Markley
10	structure calculation	AUDANA		Lee, Petit, Cornilescu, Stark and Markley
9	structure calculation	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
11	refinement	PONDEROSA-C/S		Lee, Stark and Markley
12	refinement	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore

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.