Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.7 % (972 of 1005) | 96.6 % (513 of 531) | 97.6 % (372 of 381) | 93.5 % (87 of 93) |
Backbone | 95.7 % (473 of 494) | 95.3 % (164 of 172) | 97.1 % (234 of 241) | 92.6 % (75 of 81) |
Sidechain | 97.6 % (572 of 586) | 97.2 % (349 of 359) | 98.1 % (211 of 215) | 100.0 % (12 of 12) |
Aromatic | 94.1 % (64 of 68) | 94.1 % (32 of 34) | 93.9 % (31 of 33) | 100.0 % (1 of 1) |
Methyl | 100.0 % (86 of 86) | 100.0 % (43 of 43) | 100.0 % (43 of 43) |
1. HR7057A
SHMQPGKYSQ LVVETIRRLG ERNGSSLAKI YTEAKKVPWF DQQNGRTYLK YSIKALVQND TLLQVKGTGA NGSFKLNRKK LEGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.6 mM [5% 13C; U-100% 15N]-HR7057A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | HR7057A.011 | [5% 13C; U-100% 15N] | 0.6 mM | |
10 | MES | natural abundance | 20 mM | |
11 | sodium chloride | natural abundance | 100 mM | |
12 | calcium chloride | natural abundance | 5 mM | |
13 | DSS | natural abundance | 50 uM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.3 mM [5% 13C; U-100% 15N]-HR7057A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | HR7057A.011 | [5% 13C; U-100% 15N] | 0.3 mM | |
18 | MES | natural abundance | 20 mM | |
19 | sodium chloride | natural abundance | 100 mM | |
20 | calcium chloride | natural abundance | 5 mM | |
21 | DSS | natural abundance | 50 uM | |
22 | sodium azide | natural abundance | 0.02 % | |
23 | C12E5 PEG | natural abundance | 4 % | |
24 | hexanol | natural abundance | 4 % | |
25 | H2O | natural abundance | 90 % | |
26 | 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 | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.6 mM [5% 13C; U-100% 15N]-HR7057A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | HR7057A.011 | [5% 13C; U-100% 15N] | 0.6 mM | |
10 | MES | natural abundance | 20 mM | |
11 | sodium chloride | natural abundance | 100 mM | |
12 | calcium chloride | natural abundance | 5 mM | |
13 | DSS | natural abundance | 50 uM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.6 mM [5% 13C; U-100% 15N]-HR7057A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | HR7057A.011 | [5% 13C; U-100% 15N] | 0.6 mM | |
10 | MES | natural abundance | 20 mM | |
11 | sodium chloride | natural abundance | 100 mM | |
12 | calcium chloride | natural abundance | 5 mM | |
13 | DSS | natural abundance | 50 uM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.3 mM [5% 13C; U-100% 15N]-HR7057A, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | HR7057A.011 | [5% 13C; U-100% 15N] | 0.3 mM | |
18 | MES | natural abundance | 20 mM | |
19 | sodium chloride | natural abundance | 100 mM | |
20 | calcium chloride | natural abundance | 5 mM | |
21 | DSS | natural abundance | 50 uM | |
22 | sodium azide | natural abundance | 0.02 % | |
23 | C12E5 PEG | natural abundance | 4 % | |
24 | hexanol | natural abundance | 4 % | |
25 | H2O | natural abundance | 90 % | |
26 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM HR7057A.011, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR7057A.011 | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | DSS | natural abundance | 50 uM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18438_2lso.nef |
Input source #2: Coordindates | 2lso.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--------80--- SHMQPGKYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SHMQPGKYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 83 | 0 | 0 | 100.0 |
Content subtype: combined_18438_2lso.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--- SHMQPGKYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MQPGKYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
15 | THR | HG1 | 5.31 |
25 | SER | HG | 7.638 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 531 | 513 | 96.6 |
13C chemical shifts | 381 | 372 | 97.6 |
15N chemical shifts | 98 | 88 | 89.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 172 | 164 | 95.3 |
13C chemical shifts | 166 | 161 | 97.0 |
15N chemical shifts | 81 | 75 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 359 | 349 | 97.2 |
13C chemical shifts | 215 | 211 | 98.1 |
15N chemical shifts | 17 | 13 | 76.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 44 | 44 | 100.0 |
13C chemical shifts | 44 | 44 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 34 | 32 | 94.1 |
13C chemical shifts | 33 | 31 | 93.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- SHMQPGKYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG ||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MQP.KYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- SHMQPGKYSQLVVETIRRLGERNGSSLAKIYTEAKKVPWFDQQNGRTYLKYSIKALVQNDTLLQVKGTGANGSFKLNRKKLEG |||||||||||||| |||||||||| |||||||||||||||||||| ||||| ......KYSQLVVETIRRLG...GSSLAKIYTE...........GRTYLKYSIKALVQNDTLLQ.......GSFKL --------10--------20--------30--------40--------50--------60--------70------
RDC restraints