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Solution NMR Structure of protein STY4237 (residues 36-120) from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR115
Authors
Cort, J.R., Lee, D., Ciccosanti, C., Janjua, H., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Ramelot, T.A., KENNEDY, M.A.
Assembly
SlR115
Entity
1. SlR115 (polymer, Thiol state: not present), 97 monomers, 11108.27 Da Detail

MAPLQQKQVV VSNKREKPVN DRRSRQQEVS PAGTSMRYEA SFKPLNGGLE KTFRLQAQQY HALTVGDQGT LSYKGTRFVG FVSRTPDNEL EHHHHHH


Formula weight
11108.27 Da
Source organism
Salmonella enterica
Exptl. method
solution NMR
Refine. method
molecular dynamics and simulated annealing
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 96.9 %, Completeness: 86.3 %, Completeness (bb): 93.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All86.3 % (988 of 1145)83.1 % (502 of 604)89.0 % (388 of 436)93.3 % (98 of 105)
Backbone93.0 % (532 of 572)90.8 % (178 of 196)94.0 % (267 of 284)94.6 % (87 of 92)
Sidechain81.7 % (542 of 663)79.4 % (324 of 408)85.5 % (207 of 242)84.6 % (11 of 13)
Aromatic41.3 % (38 of 92)43.5 % (20 of 46)39.1 % (18 of 46)
Methyl98.8 % (81 of 82)97.6 % (40 of 41)100.0 % (41 of 41)

1. SlR115

MAPLQQKQVV VSNKREKPVN DRRSRQQEVS PAGTSMRYEA SFKPLNGGLE KTFRLQAQQY HALTVGDQGT LSYKGTRFVG FVSRTPDNEL EHHHHHH

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] SlR115, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1SlR115[U-100% 13C; U-100% 15N]1.1 mM
2NaClnatural abundance100 mM
3MESnatural abundance20 mM
4CaCl2natural abundance5 mM
5NaN3natural abundance0.05 %
6DTTnatural abundance10 mM
7H2Onatural abundance95 %
8D2Onatural abundance5 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] SlR115, 100% D2O


#NameIsotope labelingTypeConcentration
9SlR115[U-100% 13C; U-100% 15N]1.1 mM
10NaClnatural abundance100 mM
11MESnatural abundance20 mM
12CaCl2natural abundance5 mM
13NaN3natural abundance0.05 %
14D2Onatural abundance100 %
Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [5% biosynthetically directed 13C; U-100% 15N] SlR115, 100% D2O


#NameIsotope labelingTypeConcentration
15SlR115[5% 13C; U-100% 15N]1.1 mM
16NaClnatural abundance100 mM
17MESnatural abundance20 mM
18CaCl2natural abundance5 mM
19NaN3natural abundance0.05 %
20H2Onatural abundance95 %
21D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: -0.14 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: -0.14 ppm, Outliers: 3 Detail
LACS Plot; HA
Referencing offset: 0.06 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.42 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2L0C, Strand ID: A Detail


Release date
2010-08-23
Related entities 1. SlR115, : 1 : 4 entities Detail
Experiments performed 13 experiments Detail
nullKeywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-2, Structural Genomics, Target SlR115