1PQS | pdb_00001pqs

Solution structure of the C-terminal OPCA domain of yCdc24p


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
14D_15N-separated_NOESY1.4mM OPCA U-15N, 13C; 20mM POTASSIUM PHOSPHATE BUFFER, 50mM NACL, 0.02% SODIUM AZID; pH 6.093% H2O/7% D2O20mM POTASSIUM PHOSPHATE BUFFER, 50mM SODIUM CHLORIDE6.0ambient299.6
24D_13C/15N-separated_NOESY1.4mM OPCA U-15N, 13C; 20mM POTASSIUM PHOSPHATE BUFFER, 50mM NACL, 0.02% SODIUM AZID; pH 6.093% H2O/7% D2O20mM POTASSIUM PHOSPHATE BUFFER, 50mM SODIUM CHLORIDE6.0ambient299.6
33D_13C-separated_NOESY1.4mM OPCA U-15N, 13C; 20mM POTASSIUM PHOSPHATE BUFFER, 50mM NACL, 0.02% SODIUM AZID; pH 6.093% H2O/7% D2O20mM POTASSIUM PHOSPHATE BUFFER, 50mM SODIUM CHLORIDE6.0ambient299.6
43D_15N-separated_NOESY1.4mM OPCA U-15N; 20mM POTASSIUM PHOSPHATE BUFFER, 50mM NACL, 0.02% SODIUM AZID; pH 6.093% H2O/7% D2O20mM POTASSIUM PHOSPHATE, 50mM SODIUM CHLORIDE6.0ambient299.6
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
2BrukerDRX600
NMR Refinement
MethodDetailsSoftware
simulated annealingPASTE/PAPST
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
Detailsthe structures are based on a total of 1754 restraints, 1615 are NOE-derived distance constraints, 75 dihedral angle restraints, 64 distance restraints from hydrogen bonds.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionPASTE/PAPST1.0Labudde et al.
2processingXwinNMR2.6
3processingNMRPipeDelaglio et al.
4data analysisSparky3.100Goddard et al.
5data analysisCATCH231.5Croft et al.
6data analysisPLATON1.0Labudde et al.
7structure solutionARIA/CNS1.2Linge et al.
8refinementARIA/CNS1.2Linge et al.