SCORPIO version 2.0
Structure-Calorimetry Of Reported Protein Interactions Online
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ITC data
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Interaction types
Buffers
Comments
Comment definitions
ΔC
p
ITC datum
Protein and Ligand
Protein name
Endo-1,4-Beta-Xylanase A, C2 Domain (Residues 871-1059)
Ligand name
Glucose
Glucose
Interaction type
Biological
ITC data
ITC data
Structure data
Structure data
ITC Information
n
0.75
±
ΔG
-20.19
±
kJ/mol
ΔH
-31.18
± 0.53
kJ/mol
-TΔS
-11.37
±
kJ/mol
K
D
333.33
±
uM
ΔC
P
-0.14
±
0.07
kJ/mol/K
Notes on error determination
Errors represent the standard deviations of triplicate or quadruplicate experiments or propagation of error.
General comments
Warnings
Ambigious error: ΔH - TΔS=-19.81, not equal to ΔG=-20.19 and -R.T.ln(Ka)=-19.846336848312, not equal to ΔG=-20.19
DeltaG (-20.19) != -R.T.ln(Ka) (-19.85). Tolerance range from -20.39 to -19.99
DeltaG (-20.19) != DeltaH (-31.18) - T.DeltaS (-11.37) (=-19.81). Tolerance range from -20.39 to -19.99
Affinity (333.3333) greater than 313.4408. It is difficult to interpred ITC data if Affinity is greater than 313.4408 as the sigmoidal curve becomes too shallow.
Instrument
Microcal MCS Titration Calorimeter
Temp. (K)
298.15
pH
7.0
Buffer
Phosphate Buffer 50.00 mM
Cell content
Protein
Reference
Biochemistry [2001] 40, 6240-6247