Solution structure of RBBP1 chromobarrel domain
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.9 % (803 of 924) | 84.0 % (403 of 480) | 89.6 % (327 of 365) | 92.4 % (73 of 79) |
Backbone | 93.8 % (424 of 452) | 93.6 % (146 of 156) | 94.1 % (209 of 222) | 93.2 % (69 of 74) |
Sidechain | 82.7 % (448 of 542) | 79.3 % (257 of 324) | 87.8 % (187 of 213) | 80.0 % (4 of 5) |
Aromatic | 62.5 % (70 of 112) | 64.3 % (36 of 56) | 58.5 % (31 of 53) | 100.0 % (3 of 3) |
Methyl | 100.0 % (76 of 76) | 100.0 % (38 of 38) | 100.0 % (38 of 38) |
1. entity
EDMEPCLTGT KVKVKYGRGK TQKIYEASIK STEIDDGEVL YLVHYYGWNV RYDEWVKADR IIWPLDKGLE HHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RBBP1 | [U-95% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 5 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 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RBBP1 | [U-95% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RBBP1 | [U-95% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RBBP1 | [U-95% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RBBP1 | [U-95% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | entity | [U-95% 13C; U-95% 15N] | 0.5 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | DTT | natural abundance | 5 mM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17606_2lcc.nef |
Input source #2: Coordindates | 2lcc.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
--------10--------20--------30--------40--------50--------60--------70------ EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 76 | 0 | 0 | 100.0 |
Content subtype: combined_17606_2lcc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70------ EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||| EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGW.VRYDEWVKADRIIWPLDKGLEHHHHHH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 480 | 400 | 83.3 |
13C chemical shifts | 365 | 327 | 89.6 |
15N chemical shifts | 82 | 73 | 89.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 156 | 145 | 92.9 |
13C chemical shifts | 152 | 140 | 92.1 |
15N chemical shifts | 74 | 67 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 324 | 255 | 78.7 |
13C chemical shifts | 213 | 187 | 87.8 |
15N chemical shifts | 8 | 6 | 75.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 38 | 97.4 |
13C chemical shifts | 39 | 38 | 97.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 36 | 64.3 |
13C chemical shifts | 53 | 31 | 58.5 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70------ EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGLEHHHHHH |||| ||||||||||||| ||||||||||||||||||||||||||| ||||||||||||||||||||||| || EDME.CLTGTKVKVKYGR.KTQKIYEASIKSTEIDDGEVLYLVHYY...VRYDEWVKADRIIWPLDKGLEHH..HH
--------10--------20--------30--------40--------50--------60--------70------ EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||| || EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGW.VRYDEWVKADRIIWPLDKGLEHHH.HH
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70------ EDMEPCLTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYYGWNVRYDEWVKADRIIWPLDKGLEHHHHHH |||||||||||||||||||||||||||||||||||||||| |||||||||||||||||| |||| ......LTGTKVKVKYGRGKTQKIYEASIKSTEIDDGEVLYLVHYY.WNVRYDEWVKADRIIWPL....EHHH --------10--------20--------30--------40--------50--------60--------70---