1J4P

NMR STRUCTURE OF THE FHA1 DOMAIN OF RAD53 IN COMPLEX WITH A RAD9-DERIVED PHOSPHOTHREONINE (AT T155) PEPTIDE


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-SEPARATED_NOESY0.5 MM FHA1 U-15N,13C 10 MM SODIUM PHOSPHATE BUFFER (PH 6.5), 1MM DTT, AND 1 MM EDTA; 90% H2O, 10% D2O10 mM SODIUM PHOSPHATE, 1mM DTT, AND 1 mM EDTA6.50AMBIENT293.00
23D_15N-SEPARATED_NOESY0.5 MM FHA1 U-15N,13C 10 MM SODIUM PHOSPHATE BUFFER (PH 6.5), 1MM DTT, AND 1 MM EDTA; 90% H2O, 10% D2O10 mM SODIUM PHOSPHATE, 1mM DTT, AND 1 mM EDTA6.50AMBIENT293.00
32D_13C/15N-FILTERED_NOESY0.5 MM FHA1 U-15N,13C 10 MM SODIUM PHOSPHATE BUFFER (PH 6.5), 1MM DTT, AND 1 MM EDTA; 90% H2O, 10% D2O10 mM SODIUM PHOSPHATE, 1mM DTT, AND 1 mM EDTA6.50AMBIENT293.00
43D_13C -EDITED_13C/15N-FILTERED_NOESY0.5 MM FHA1 U-15N,13C 10 MM SODIUM PHOSPHATE BUFFER (PH 6.5), 1MM DTT, AND 1 MM EDTA; 90% H2O, 10% D2O10 mM SODIUM PHOSPHATE, 1mM DTT, AND 1 mM EDTA6.50AMBIENT293.00
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX800
NMR Refinement
MethodDetailsSoftware
THE COMPLEX STRUCTURES ARE GENERATED USING A TOTAL OF 2438 RESTRAINTS. AMONG THEM, 3 ARTIFICAL CONSTRAINTS, 192 TALOS- DERIVED DIHEDRAL ANGLE RESTRAINS, 78 RESTRAINTS FROM H-BOND, 16 INTERMOLECULAR DISTANCE CONSTRAINS, AND 2149 INTRA-FHA1 AND INTRA- PEPTIDE DISTANCE CONSTRAINTS.XwinNMR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Additional NMR Experimental Information
DetailsTHE STRUCTURE WAS DETERMINED USING TRIPLE- RESONANCE NMR SPECTROSCOPY.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionXwinNMR2.6
2structure solutionCNS1.0
3refinementCNS1.0