Experiment: 6NZ2

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
2	2D 1H-13C HSQC aliphatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
3	2D 1H-13C HSQC aromatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
4	3D HNCA	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
5	3D CBCA(CO)NH	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
6	3D HCCH-TOCSY	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
20	3D HCCH-COSY	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
19	3D HNHA	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
18	3D 1H-15N NOESY	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
17	3D 1H-13C NOESY aliphatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
16	3D 1H-13C NOESY aromatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
15	2D 1H-13C HSQC aliphatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 950
14	2D 1H-13C HSQC aromatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 950
13	2D 1H-15N HSQC	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 950
12	3D 1H-13C NOESY aliphatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 950
11	3D 1H-13C NOESY aromatic	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 950
10	3D 1H-15N NOESY	1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 950
9	3D HCCH-TOCSY	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
8	3D CCCONH	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
7	2D 1H-13C HSQC aromatic	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
27	2D 1H-15N HSQC	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
26	3D HNCA	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
25	3D HNCACB	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
24	3D HNCACO	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
23	3D HNCO	1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600
28	2D 1H-15N HSQC	1 mM [U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 12 mg/mL Pf1 phage	90% H2O/10% D2O	150 mM	6.4	1 atm	303	Bruker AVANCE III 600

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE III	600
2	Bruker	AVANCE III	950

NMR Refinement
Method	Details	Software
simulated annealing		CNS

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	refinement	CNS		Brunger, Adams, Clore, Gros, Nilges and Read
2	structure calculation	CYANA		Guntert, Mumenthaler and Wuthrich
3	chemical shift assignment	CARA		Keller and Wuthrich
6	structure calculation	TALOS		Cornilescu, Delaglio and Bax
4	collection	TopSpin		Bruker Biospin
5	processing	TopSpin		Bruker Biospin

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.

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6NZ2

NMR solution structure of Bcd1p120-303 from Saccharomyces cerevisiae