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Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A
Authors
Eletsky, A., Lee, H., Lee, D., Kohan, E., Janjua, H., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Prestegard, J.H., Szyperski, T.
Assembly
HR7057A
Entity
1. HR7057A (polymer, Thiol state: not present), 83 monomers, 9384.650 Da Detail

SHMQPGKYSQ LVVETIRRLG ERNGSSLAKI YTEAKKVPWF DQQNGRTYLK YSIKALVQND TLLQVKGTGA NGSFKLNRKK LEG


Formula weight
9384.65 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 97.6 %, Completeness: 96.7 %, Completeness (bb): 95.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All96.7 % (972 of 1005)96.6 % (513 of 531)97.6 % (372 of 381)93.5 % (87 of 93)
Backbone95.7 % (473 of 494)95.3 % (164 of 172)97.1 % (234 of 241)92.6 % (75 of 81)
Sidechain97.6 % (572 of 586)97.2 % (349 of 359)98.1 % (211 of 215)100.0 % (12 of 12)
Aromatic94.1 % (64 of 68)94.1 % (32 of 34)93.9 % (31 of 33)100.0 % (1 of 1)
Methyl100.0 % (86 of 86)100.0 % (43 of 43)100.0 % (43 of 43)

1. HR7057A

SHMQPGKYSQ LVVETIRRLG ERNGSSLAKI YTEAKKVPWF DQQNGRTYLK YSIKALVQND TLLQVKGTGA NGSFKLNRKK LEG

Sample #1

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


#NameIsotope labelingTypeConcentration
1HR7057A.011[U-100% 13C; U-100% 15N]0.9 mM
2MESnatural abundance20 mM
3sodium chloridenatural abundance100 mM
4calcium chloridenatural abundance5 mM
5DSSnatural abundance50 uM
6sodium azidenatural abundance0.02 %
7H2Onatural abundance90 %
8D2Onatural abundance10 %
Sample #2

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


#NameIsotope labelingTypeConcentration
9HR7057A.011[5% 13C; U-100% 15N]0.6 mM
10MESnatural abundance20 mM
11sodium chloridenatural abundance100 mM
12calcium chloridenatural abundance5 mM
13DSSnatural abundance50 uM
14sodium azidenatural abundance0.02 %
15H2Onatural abundance90 %
16D2Onatural abundance10 %
Sample #3

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


#NameIsotope labelingTypeConcentration
17HR7057A.011[5% 13C; U-100% 15N]0.3 mM
18MESnatural abundance20 mM
19sodium chloridenatural abundance100 mM
20calcium chloridenatural abundance5 mM
21DSSnatural abundance50 uM
22sodium azidenatural abundance0.02 %
23C12E5 PEGnatural abundance4 %
24hexanolnatural abundance4 %
25H2Onatural abundance90 %
26D2Onatural abundance10 %

LACS Plot; CA
Referencing offset: 0.1 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 0.1 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.02 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: -0.28 ppm, Outliers: 4 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LSO, Strand ID: A Detail


Release date
2012-06-05
Related entities 1. HR7057A, : 1 : 2 : 153 entities Detail
Interaction partners 1. HR7057A, : 104 interactors Detail
Experiments performed 19 experiments Detail
NMR combined restraints 5 contents Detail
Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-Biology, Protein NMR, Protein Structure Initiative, Structural Genomics, Target HR7057A