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Found 1 Document (1.022 seconds)

BMRB: 15347

2K8S

Chemical Shift Assignments for protein NE0084 from Nitrosomonas europea: Northeast Structural Genomics Target NeT6

Authors

Cort, J.R., Yee, A., Arrowsmith, C.H., Kennedy, M.A.

Assembly

NE0084

Entity

1. NE0084 (polymer, Thiol state: all free), 99 monomers, 10569.83 Da Detail

MGSSHHHHHH GRENLYFQGH MVASKAIFYH AGCPVCVSAE QAVANAIDPS KYTVEIVHLG TDKARIAEAE KAGVKSVPAL VIDGAAFHIN FGAGIDDLK

Formula weight

10569.83 Da

Source organism

Nitrosomonas europaea

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.8 %, Completeness: 76.4 %, Completeness (bb): 80.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.4 % (828 of 1084)	76.4 % (421 of 551)	75.7 % (327 of 432)	79.2 % (80 of 101)
Backbone	80.1 % (471 of 588)	79.9 % (163 of 204)	80.2 % (231 of 288)	80.2 % (77 of 96)
Sidechain	73.4 % (430 of 586)	74.4 % (258 of 347)	72.2 % (169 of 234)	60.0 % (3 of 5)
Aromatic	32.7 % (34 of 104)	32.7 % (17 of 52)	32.7 % (17 of 52)
Methyl	93.0 % (106 of 114)	93.0 % (53 of 57)	93.0 % (53 of 57)

1. NE0084

MGSSHHHHHH GRENLYFQGH MVASKAIFYH AGCPVCVSAE QAVANAIDPS KYTVEIVHLG TDKARIAEAE KAGVKSVPAL VIDGAAFHIN FGAGIDDLK

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
7	D2O	natural abundance	100 %
8	sodium chloride	natural abundance	300 mM
9	Tris	natural abundance	10 mM
10	DTT	natural abundance	10 mM

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1), Details biosynthetic-directed labeled 7% 13C.

#	Name	Isotope labeling	Concentration
11	NE0084	[7% 13C; U-100% 15N]	1 (±0.1) mM
12	D2O	natural abundance	7 %
13	sodium chloride	natural abundance	300 mM
14	Tris	natural abundance	10 mM
15	DTT	natural abundance	10 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.25 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.25 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.55 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K8S, Strand ID: A, B Detail

Release date

2007-07-24

Citation

Chemical Shift Assignments of protein NE0084 from Nitrosomonas europea: Northeast Structural Genomics Consortium Target NeT6
Cort, J.R., Yee, A., Arrowsmith, C.H., Kennedy, M.A.
Not known

Related entities 1. NE0084, : 3 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

2 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
7	D2O	natural abundance	100 %
8	sodium chloride	natural abundance	300 mM
9	Tris	natural abundance	10 mM
10	DTT	natural abundance	10 mM

3 2D 1H-13C HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

4 2D 1H-13C HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1), Details biosynthetic-directed labeled 7% 13C.

#	Name	Isotope labeling	Concentration
11	NE0084	[7% 13C; U-100% 15N]	1 (±0.1) mM
12	D2O	natural abundance	7 %
13	sodium chloride	natural abundance	300 mM
14	Tris	natural abundance	10 mM
15	DTT	natural abundance	10 mM

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

6 3D HNCACB

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

7 3D HNCO

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

8 3D C(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

9 3D HBHA(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

10 3D HNHA

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

11 3D 1H-15N NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

12 3D 1H-13C NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

13 3D HCCH-TOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	D2O	natural abundance	7 %
3	sodium chloride	natural abundance	300 mM
4	Tris	natural abundance	10 mM
5	DTT	natural abundance	10 mM

14 4D 1H-C13-C13-1H HMQC-NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	NE0084	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
7	D2O	natural abundance	100 %
8	sodium chloride	natural abundance	300 mM
9	Tris	natural abundance	10 mM
10	DTT	natural abundance	10 mM

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Found 1 Document (1.022 seconds)

BMRB: 15347

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. NE0084, : 3 entities Detail

Experiments performed 14 experiments Detail

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