2KZ7

Solution structure of the CARMIL CAH3a/b domain bound to capping protein (CP)


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-15N HSQC0.35 mM [U-99% 15N; U-80% 2H] CPalpha subunit, 0.35 mM [U-99% 15N; U-80% 2H] CPbeta subunit, 0.39 mM [U-2H] CARMIL CAH3a/b domain93% H2O/7% D2O1006.5ambient305
22D 1H-15N HSQC0.35 mM [U-99% 15N; U-80% 2H] CARMIL CAH3a/b domain, 0.39 mM [U-2H] CPalpha subunit, 0.39 mM [U-2H] CPbeta subunit93% H2O/7% D2O1006.5ambient305
32D 1H-15N HSQC0.35 mM [U-99% 15N; U-80% 2H] CPalpha subunit, 0.35 mM [U-99% 15N; U-80% 2H] CPbeta subunit, 0.39 mM [U-2H; spin labeled at 1 or 5 postions] CARMIL CAH3a/b domain93% H2O/7% D2O1006.5ambient305
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX800
2BrukerAVANCE900
NMR Refinement
MethodDetailsSoftware
molecular dynamics, simulated annealing, torsion angle dynamicsTopSpin
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number200
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionTopSpinBruker Biospin
2processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3processingNMRDrawDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4chemical shift assignmentPIPPGarrett
5chemical shift calculationPIPPGarrett
6peak pickingPIPPGarrett
7structure solutionX-PLOR NIH2.23Schwieters, Kuszewski, Tjandra and Clore
8refinementX-PLOR NIH2.23Schwieters, Kuszewski, Tjandra and Clore