Experiment: 2N94

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-1H NOESY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
2	2D 1H-15N HSQC	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
3	2D 1H-13C HSQC aliphatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
4	2D 1H-13C HSQC aromatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
5	2D 1H-1H TOCSY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
6	3D CBCA(CO)NH	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
7	3D HNCO	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
8	3D HNCA	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
9	3D HNCACB	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
10	3D HCCH-TOCSY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
11	3D 1H-15N NOESY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
12	3D 1H-13C NOESY aliphatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
13	3D 1H-13C NOESY aromatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
14	2D 1H-15N HSQC long range	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	313
15	2D 1H-1H NOESY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
16	2D 1H-1H TOCSY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
17	2D 1H-15N HSQC	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
18	2D 1H-15N HSQC long range	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
19	2D 1H-13C HSQC aliphatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
20	2D 1H-13C HSQC aromatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
21	3D CBCA(CO)NH	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
22	3D HNCO	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
23	3D HNCA	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
24	3D HNCACB	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
25	3D HCCH-TOCSY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
26	3D 1H-15N NOESY	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
27	3D 1H-13C NOESY aliphatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298
28	3D 1H-13C NOESY aromatic	0.8 mM [U-100% 13C; U-100% 15N] protein, 10 mM sodium phosphate, 150 mM sodium chloride, 0.5 mM TCEP, 3 mM [U-2H] DTT	90% H2O/10% D2O	160	6.4	ambient	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600

NMR Refinement
Method	Details	Software
simulated annealing		CNS

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	250
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 solution	CNS		Brunger, Adams, Clore, Gros, Nilges and Read

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.

Prepare Data

Validate Data

Deposit Data

Help and Resources

2N94

NMR structure of yeast Bcd1 protein zinc finger