The second dsRBD domain from A. thaliana DICER-LIKE 1
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.1 % (779 of 828) | 92.4 % (402 of 435) | 96.3 % (309 of 321) | 94.4 % (68 of 72) |
Backbone | 98.1 % (408 of 416) | 95.8 % (136 of 142) | 100.0 % (208 of 208) | 97.0 % (64 of 66) |
Sidechain | 91.4 % (437 of 478) | 90.8 % (266 of 293) | 93.3 % (167 of 179) | 66.7 % (4 of 6) |
Aromatic | 78.6 % (44 of 56) | 92.9 % (26 of 28) | 61.5 % (16 of 26) | 100.0 % (2 of 2) |
Methyl | 95.7 % (67 of 70) | 91.4 % (32 of 35) | 100.0 % (35 of 35) |
1. dsRBD
NDICLRKNWP MPSYRCVKEG GPAHAKRFTF GVRVNTSDRG WTDECIGEPM PSVKKAKDSA AVLLLELLNK TSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dsRBD | [U-100% 13C; U-100% 15N] | 800 mM | |
2 | HEPES | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | PMSF | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | dsRBD | [U-100% 13C; U-100% 15N] | 600 uM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | C12/E5-Hexanol | natural abundance | 5 % | |
10 | DTT | natural abundance | 10 mM | |
11 | PMSF | natural abundance | 1 mM | |
12 | sodium azide | natural abundance | 0.05 % | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | dsRBD | natural abundance | 800 mM | |
17 | sodium phosphate | natural abundance | 50 mM | |
18 | sodium chloride | natural abundance | 50 mM | |
19 | sodium azide | natural abundance | 0.05 % | |
20 | PMSF | natural abundance | 1 mM | |
21 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.77 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.77 ppm | internal | direct | 1.0 |
15N | water | protons | 4.77 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.77 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.77 ppm | internal | direct | 1.0 |
15N | water | protons | 4.77 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.77 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.77 ppm | internal | direct | 1.0 |
15N | water | protons | 4.77 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.77 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.77 ppm | internal | direct | 1.0 |
15N | water | protons | 4.77 ppm | internal | indirect | 0.1013291 |
Varian VXRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dsRBD | [U-100% 13C; U-100% 15N] | 800 mM | |
2 | HEPES | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | PMSF | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian VXRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dsRBD | [U-100% 13C; U-100% 15N] | 800 mM | |
2 | HEPES | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | PMSF | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Varian VXRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dsRBD | [U-100% 13C; U-100% 15N] | 800 mM | |
2 | HEPES | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | PMSF | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian VXRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dsRBD | [U-100% 13C; U-100% 15N] | 800 mM | |
2 | HEPES | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 0.05 % | |
4 | PMSF | natural abundance | 1 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian VXRS - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | dsRBD | natural abundance | 800 mM | |
17 | sodium phosphate | natural abundance | 50 mM | |
18 | sodium chloride | natural abundance | 50 mM | |
19 | sodium azide | natural abundance | 0.05 % | |
20 | PMSF | natural abundance | 1 mM | |
21 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | dsRBD | natural abundance | 800 mM | |
17 | sodium phosphate | natural abundance | 50 mM | |
18 | sodium chloride | natural abundance | 50 mM | |
19 | sodium azide | natural abundance | 0.05 % | |
20 | PMSF | natural abundance | 1 mM | |
21 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | dsRBD | [U-100% 13C; U-100% 15N] | 600 uM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | C12/E5-Hexanol | natural abundance | 5 % | |
10 | DTT | natural abundance | 10 mM | |
11 | PMSF | natural abundance | 1 mM | |
12 | sodium azide | natural abundance | 0.05 % | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
22 | dsRBD | [U-100% 13C; U-100% 15N] | 600 mM | |
23 | sodium phosphate | natural abundance | 100 mM | |
24 | sodium chloride | natural abundance | 50 mM | |
25 | sodium azide | natural abundance | 0.05 % | |
26 | PMSF | natural abundance | 1 mM | |
27 | DTT | natural abundance | 10 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18393_2lrs.nef |
Input source #2: Coordindates | 2lrs.cif |
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
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
----20--------30--------40--------50--------60--------70--------80----- NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT --------10--------20--------30--------40--------50--------60--------70-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 71 | 0 | 0 | 100.0 |
Content subtype: combined_18393_2lrs.nef
Assigned chemical shifts
----20--------30--------40--------50--------60--------70--------80----- NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 435 | 405 | 93.1 |
13C chemical shifts | 321 | 309 | 96.3 |
15N chemical shifts | 77 | 67 | 87.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 142 | 139 | 97.9 |
13C chemical shifts | 142 | 142 | 100.0 |
15N chemical shifts | 66 | 64 | 97.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 293 | 266 | 90.8 |
13C chemical shifts | 179 | 167 | 93.3 |
15N chemical shifts | 11 | 3 | 27.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 37 | 35 | 94.6 |
13C chemical shifts | 37 | 37 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 26 | 92.9 |
13C chemical shifts | 26 | 16 | 61.5 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
----20--------30--------40--------50--------60--------70--------80----- NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT
Dihedral angle restraints
----20--------30--------40--------50--------60--------70--------80----- NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT |||||||||||||||||||| ||||||||||||||||||||||||| ||||||||||||||||||| NDICLRKNWPMPSYRCVKEG..AHAKRFTFGVRVNTSDRGWTDECIG....SVKKAKDSAAVLLLELLNK ----20--------30--------40--------50--------60--------70--------80----
RDC restraints
----20--------30--------40--------50--------60--------70--------80----- NDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKT |||||||| ||||||||||| ||||||||||||||||||| |||||||||||||||||||||||||| NDICLRKN.PMPSYRCVKEG.....KRFTFGVRVNTSDRGWTDE.IGEPMPSVKKAKDSAAVLLLELLNKT