Type: solution / Contents: 2 mM AapA1, 0.2 mM AapA1, trifluoroethanol/water Details: Sample in 40 % TFE, 10 mM acetic acid, 10 mM NaCl, 2 mM DTT at pH 4.7 Label: no / Solvent system: trifluoroethanol/water
Sample
Conc. (mg/ml)
Component
Isotopic labeling
Solution-ID
2mM
AapA1_1
naturalabundance
1
0.2mM
AapA1_2
naturalabundance
1
Sample conditions
Details: 50 mM / Ionic strength: 50 mM / Ionic strength err: 5 / Label: conditions_1 / pH: 4.5 / PH err: 0.1 / Pressure: 1 atm / Temperature: 303 K / Temperature err: 1
-
NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker AVANCE III
Bruker
AVANCEIII
800
1
Bruker AVANCE III
Bruker
AVANCEIII
700
2
-
Processing
NMR software
Name
Version
Developer
Classification
Sparky
3
Goddard
chemicalshiftassignment
CcpNmr Analysis
CCPN
chemicalshiftassignment
TopSpin
BrukerBiospin
collection
Sparky
Goddard
peakpicking
Refinement
Method: na / Software ordinal: 1
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 1000 / Conformers submitted total number: 10
+
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