1X5C

The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1.2mM thioredoxin like domain U-15N,13C; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O90% H2O/10% D2O120mM7.0ambient296
23D_13C-separated_NOESY1.2mM thioredoxin like domain U-15N,13C; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O90% H2O/10% D2O120mM7.0ambient296
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE900
NMR Refinement
MethodDetailsSoftware
torsion angle dynamicsXwinNMR
NMR Ensemble Information
Conformer Selection Criteriatarget function,structures with the least restraint violations
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR3.5Bruker
2processingNMRPipe20031121Delaglio, F.
3data analysisNMRView5.0.4Johnson, B.A.
4data analysisKUJIRA0.9044Kobayashi, N.
5structure solutionCYANA2.0.17Guntert, P.
6refinementCYANA2.0.17Guntert, P.