Search

Solution NMR of the specialized apo-acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
Authors
Ramelot, T.A., Rossi, P., Yang, Y., Lee, H., Ertekin, A., Wang, H., Ciccosanti, C., Kohan, E., Maglaqui, M., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R.A., Everett, J.K., Prestegard, J.H., Montelione, G.T., Kennedy, M.A.
Assembly
RPA2022
Entity
1. RPA2022 (polymer, Thiol state: all free), 101 monomers, 11293.58 Da Detail

MTSTFDRVAT IIAETCDIPR ETITPESHAI DDLGIDSLDF LDIAFAIDKA FGIKLPLEKW TQEVNDGKAT TEQYFVLKNL AARIDELVAA KGALEHHHHH H


Formula weight
11293.58 Da
Source organism
Rhodopseudomonas palustris
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 95.0 %, Completeness: 93.5 %, Completeness (bb): 93.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All93.5 % (1080 of 1155)93.7 % (552 of 589)93.3 % (432 of 463)93.2 % (96 of 103)
Backbone93.5 % (561 of 600)93.6 % (190 of 203)93.6 % (280 of 299)92.9 % (91 of 98)
Sidechain93.7 % (611 of 652)93.8 % (362 of 386)93.5 % (244 of 261)100.0 % (5 of 5)
Aromatic75.5 % (74 of 98)75.5 % (37 of 49)75.0 % (36 of 48)100.0 % (1 of 1)
Methyl100.0 % (134 of 134)100.0 % (67 of 67)100.0 % (67 of 67)

1. entity

MTSTFDRVAT IIAETCDIPR ETITPESHAI DDLGIDSLDF LDIAFAIDKA FGIKLPLEKW TQEVNDGKAT TEQYFVLKNL AARIDELVAA KGALEHHHHH H

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
1protein[U-100% 13C; U-100% 15N]1.0 (±0.1) mM
2MESnatural abundance20 (±1.0) mM
3sodium chloridenatural abundance200 (±5.0) mM
4calcium chloridenatural abundance5 (±0.25) mM
5sodium azidenatural abundance0.02 (±0.001) %
6DTTnatural abundance10 (±0.5) mM
7DSSnatural abundance5 (±0.25) uM
8H2Onatural abundance90 %
9D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
10protein[U-100% 13C; U-100% 15N]1.0 (±0.1) mM
11MESnatural abundance20 (±1.0) mM
12sodium chloridenatural abundance200 (±5.0) mM
13calcium chloridenatural abundance5 (±0.25) mM
14sodium azidenatural abundance0.02 (±0.001) %
15DTTnatural abundance10 (±0.5) mM
16DSSnatural abundance5 (±0.25) uM
17D2Onatural abundance100 %

LACS Plot; CA
Referencing offset: -0.22 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.22 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.0 ppm, Outliers: 5 Detail
LACS Plot; CO
Referencing offset: -0.71 ppm, Outliers: 3 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LPK, Strand ID: A Detail


Release date
2012-03-18
Citation
Solution NMR structure of the specialized apo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium Target RpR324
Ramelot, T., Rossi, P.A., Forouhar, F., Lee, H., Yang, Y., Ni, S., Unser, S., Lew, S., Seetharaman, J., Xiao, R., Acton, T.B., Everett, J.K., Prestegard, J.H., Hunt, J.F., Montelione, G.T., Kennedy, M.A.
Not known
Related entities 1. RPA2022, : 1 : 4 : 18 entities Detail
Experiments performed 12 experiments Detail
NMR combined restraints 8 contents Detail
Keywords AcpXL, acyl carrier protein, apo, Northeast Structural Genomics Consortium, Protein Structure Initiative, PSI-Biology, RpAcpXL, Structural Genomics