1 NMR spectral acquisition parameters
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
2 t3 H 599.9094119 146ms . 7000Hz No 1024 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
3 t2 C 150.8529083 7.7ms . 8300Hz No 64 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
4 t1 N 60.7952139 21ms . 1540Hz No 32 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
5 NMR spectral processing parameters
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
6 D1 H sine-bell 1024 90 Zero-fill 2048
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
7 D2 C squared-sine-bell 64 70 Zero-fill 128
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
8 D3 N linear predict 32 to 48 squaredsine-bell 48 70 Zero-fill 64
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
5 | lysl-tRNA_synthetase | [U-15N] | | 1 mM |
---|
6 | urea | | | 3 M |
---|
7 | H2O | | | 90 % |
---|
8 | D2O | | | 10 % |
---|
9 46 ms mix time
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
10 NMR spectral acquisition parameters
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
11 t3 H 600.1328206MHz 85ms 46ms 6009.615Hz No 512 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
12 t2 N 60.8178387MHz 21ms . 1521Hz No 32 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
13 t1 H 600.1328206MHz 21ms . 6009.615Hz No 128 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
14 NMR spectral processing parameters
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
15 3D [1H-15N] TOCSY-HSQC
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
16 D1 H gm -10 0.1 Zero-fill 1024
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
17 D2 N lpl 32 to 48 gm -13 0.1 Zero-fill 64
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
18 D3 H gm -13 0.1 zf 256
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
19 200 ms mix time
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
20 t3 H 599.9094183MHz 146ms 200ms 7000Hz No 1024 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
21 t2 H 599.9094183MHz 18ms . 7000Hz No 128 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
22 t1 N 60.7951139MHz 21ms . 1540Hz No 32 complex .
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
23 3D [1H-15N] NOESY-HSQC
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
24 D1 H gm -5 0.1 Zero-fill 2048
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
25 D2 H gm -7 0.1 Zero-fill 256
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
26 D3 N lpl 32 to 48 gm -15 0.1 Zero-fill 64
Instrument
Bruker DRX - 600 MHz
Sample
State isotropic, Pressure 1 atm, Temperature 284 K, pH 2.8
# | Name | Isotope labeling | Type | Concentration |
---|
1 | lysl-tRNA_synthetase | [U-15N; U-13C] | | 1.5 mM |
---|
2 | urea | | | 3 M |
---|
3 | H2O | | | 90 % |
---|
4 | D2O | | | 10 % |
---|
Properties
Input source #1: Assigned chemical shifts - Assigned chemical shifts | bmr4134_3.str |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
None
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
None
Non-standard residues
None
Content subtype: bmr4134_3.str
# | Content subtype | Saveframe | Status | # of rows | Experiment type | Sequence coverage (%) |
---|
1 | Assigned chemical shifts | assigned_chemical_shifts_one | Warning | 754 | | 99.2 (chain: 1, length: 120) |
1 | Chemical shift references | chemical_shift_reference_one | OK | 3 | | No information |
Assigned chemical shifts
- Saveframe: assigned_chemical_shifts_one
- Total number of assignments
- 1H chemical shifts: 420
- 13C chemical shifts: 219
- 15N chemical shifts: 115
- Completeness of assignments
- Entity_assemble_ID: 1
- All atoms
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
1H chemical shifts | 731 | 372 | 50.9 |
13C chemical shifts | 543 | 219 | 40.3 |
15N chemical shifts | 136 | 115 | 84.6 |
- Backbone atoms
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
1H chemical shifts | 249 | 224 | 90.0 |
13C chemical shifts | 240 | 112 | 46.7 |
15N chemical shifts | 118 | 115 | 97.5 |
- Side chain atoms
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
1H chemical shifts | 482 | 148 | 30.7 |
13C chemical shifts | 303 | 107 | 35.3 |
15N chemical shifts | 18 | 0 | 0.0 |
- Methyl group atoms
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
1H chemical shifts | 70 | 24 | 34.3 |
13C chemical shifts | 70 | 10 | 14.3 |
- Aromatic group atoms
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
1H chemical shifts | 50 | 0 | 0.0 |
13C chemical shifts | 49 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
- Redox state of CYS
- 1:111:CYS, CA: 58.7 ppm, CB: 28.2 ppm
- Redox_state (pred. by CS): reduced
- Peptide bond of PRO
- 1:8:PRO, CB: 32.1 ppm, CG: None ppm
- Peptide_bond (pred. by CS): cis 15.4%, trans 84.6%
- 1:76:PRO, CB: 32.1 ppm, CG: None ppm
- Peptide_bond (pred. by CS): cis 15.4%, trans 84.6%
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S2 and NMR RMSD)