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Solution NMR Structure of protein CD1104.2 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130
Authors
Pulavarti, S., Eletsky, A., Mills, J.L., Sukumaran, D.K., Wang, H., Ciccosanti, C., Janjua, H., Acton, T.B., Xiao, R., Everett, J.K., Lee, H., Prestegard, J.H., Montelione, G.T., Szyperski, T.
Assembly
CfR130
Entity
1. CfR130 (polymer, Thiol state: not present), 76 monomers, 8737.843 Da Detail

MIRLTIEETN LLSIYNEGGK RGLMENINAA LPFMDEDMRE LAKRTLAKIA PLTENEYAEL AIFAADEVLE HHHHHH


Formula weight
8737.843 Da
Source organism
Clostridioides difficile
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 93.4 %, Completeness: 89.5 %, Completeness (bb): 88.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All89.5 % (794 of 887)90.2 % (414 of 459)88.8 % (310 of 349)88.6 % (70 of 79)
Backbone88.5 % (400 of 452)88.9 % (136 of 153)88.4 % (199 of 225)87.8 % (65 of 74)
Sidechain90.6 % (460 of 508)90.8 % (278 of 306)89.8 % (177 of 197)100.0 % (5 of 5)
Aromatic60.0 % (36 of 60)60.0 % (18 of 30)60.0 % (18 of 30)
Methyl95.7 % (90 of 94)93.6 % (44 of 47)97.9 % (46 of 47)

1. CfR130

MIRLTIEETN LLSIYNEGGK RGLMENINAA LPFMDEDMRE LAKRTLAKIA PLTENEYAEL AIFAADEVLE HHHHHH

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.61 mM [U-100% 13C; U-100% 15N], 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1CfR130[U-100% 13C; U-100% 15N]1.61 mM
2MESnatural abundance20 mM
3sodium chloridenatural abundance100 mM
4sodium azidenatural abundance0.02 %
5calcium chloridenatural abundance5 mM
6DTTnatural abundance10 mM
7DSSnatural abundance50 uM
8D2Onatural abundance5 %
9H2Onatural abundance95 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.68 mM [U-5% 13C; U-100% 15N], 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
10CfR130[U-5% 13C; U-100% 15N]1.68 mM
11MESnatural abundance20 mM
12sodium chloridenatural abundance100 mM
13sodium azidenatural abundance0.02 %
14calcium chloridenatural abundance5 mM
15DTTnatural abundance10 mM
16DSSnatural abundance50 uM
17D2Onatural abundance5 %
18H2Onatural abundance95 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.68 mM [U-5% 13C; U-100% 15N] 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
19CfR130[U-5% 13C; U-100% 15N]1.68 mM
20MESnatural abundance20 mM
21sodium chloridenatural abundance100 mM
22sodium azidenatural abundance0.02 %
23calcium chloridenatural abundance5 mM
24DTTnatural abundance10 mM
25DSSnatural abundance50 uM
26D2Onatural abundance10 %
27H2Onatural abundance90 %
28PEGnatural abundance4 %
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.68 mM [U-5% 13C; U-100% 15N] 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
29CfR130[U-5% 13C; U-100% 15N]1.68 mM
30MESnatural abundance20 mM
31sodium chloridenatural abundance100 mM
32sodium azidenatural abundance0.02 %
33calcium chloridenatural abundance5 mM
34DTTnatural abundance10 mM
35DSSnatural abundance50 uM
36D2Onatural abundance10 %
37H2Onatural abundance90 %
38Pf1 phagenatural abundance13.2 mg/mL

LACS Plot; CA
Referencing offset: -0.12 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.12 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.03 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: -0.1 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2L7K, Strand ID: A Detail


Release date
2011-01-04
Related entities 1. CfR130, : 1 : 4 entities Detail
Experiments performed 15 experiments Detail
NMR combined restraints 6 contents Detail
Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-2, Protein NMR, Protein Structure Initiative, Structural Genomics, Target CfR130