2N81

Solution Structure of Lipid Transfer Protein From Pea Pisum Sativum


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
22D 1H-13C HSQC1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
33D HNCO1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
43D HNCA1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
53D HNCACB1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
63D 1H-15N NOESY1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
73D 1H-13C NOESY aliphatic1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
83D 1H-15N TOCSY1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
93D HCCH-TOCSY1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
103D HN(CO)CA1 mM [U-98% 13C; U-98% 15N] PS-LTP195% H2O/5% D2O105.5ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAvance700
NMR Refinement
MethodDetailsSoftware
simulated annealingCARA
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number300
Conformers Submitted Total Number20
Representative Model1 (fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1chemical shift assignmentCARA1.8Keller and Wuthrich
2peak pickingCARA1.8Keller and Wuthrich
3chemical shift calculationCARA1.8Keller and Wuthrich
4collectionTOPSPIN2.1Bruker Biospin
5processingTOPSPIN2.1Bruker Biospin
6structure solutionCYANA3.0Guntert, Mumenthaler and Wuthrich
7refinementCYANA1.8Guntert, Mumenthaler and Wuthrich