Academia Sinica and Ministry of Science and Technology
104-0210-01-09-02
Taiwan
Ministry of Science and Technology
MOST 103-2311-B-001-026-MY3
Taiwan
Citation
Journal: To Be Published Title: Solution structure of Tilapia piscidin 4, an antimicrobial peptide effective against multidrug resistant Helicobacter pylori Authors: Wei, S. / Liao, Y. / Chen, C.
1.5 mM TP4, 20 mM sodium phosphate, 100 mM U-98% 2H dodecylphosphocholine, 90% H2O/10% D2O
1.5 mM TP4 with 100 mM dodecylphosphocholine-d38 in 20 mM sodium phosphate buffer at pH 3.5
TP4
90% H2O/10% D2O
micelle
2
1.5 mM TP4, 20 mM sodium phosphate, 100 mM U-98% 2H dodecylphosphocholine, 100% D2O
1.5 mM TP4 with 100 mM dodecylphosphocholine-d38 in 20 mM sodium phosphate buffer at pH 3.5
TP4
100% D2O
Sample
Conc. (mg/ml)
Component
Isotopic labeling
Solution-ID
1.5mM
TP4
naturalabundance
1
20mM
sodiumphosphate
naturalabundance
1
100mM
dodecylphosphocholine
U-98% 2H
1
1.5mM
TP4
naturalabundance
2
20mM
sodiumphosphate
naturalabundance
2
100mM
dodecylphosphocholine
U-98% 2H
2
Sample conditions
Details: 1.5 mM TP4 with 100 mM dodecylphosphocholine-d38 in 20 mM sodium phosphate buffer at pH 3.5 Ionic strength: 105 mM / Label: phosphate buffer / pH: 3.5 / Pressure: ATMOSPHERIC atm / Temperature: 318 K
-
NMR measurement
NMR spectrometer
Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz Details: with a triple (1H, 13C and 15N) resonance cryoprobe
-
Processing
NMR software
Name
Version
Developer
Classification
Bruker TopSpin
3.1
Bruker
chemicalshiftassignment
Sparky
Goddard
dataanalysis
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
structurecalculation
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
refinement
Refinement
Method: simulated annealing / Software ordinal: 4
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 15
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