back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy
Representative
Model #1
lowest energy conformer
-
Components
#1: Protein
Transformationrelatedprotein53bindingprotein1 / murine p53-binding protein
Mass: 17426.572 Da / Num. of mol.: 1 / Fragment: Residues 1463-1617 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Plasmid: pDEST15 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-Gold(DE3) / References: UniProt: Q91YC9, UniProt: P70399*PLUS
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
3D 15N-separated NOESY
1
2
2
3D 13C-separated NOESY
1
3
3
3D 13C-separated NOESY
1
4
2
3D 13C NOESY aromatic
NMR details
Text: The structure was determined using triple-resonance NMR spectroscopy
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker DRX
Bruker
DRX
750
1
Bruker DRX
Bruker
DRX
600
2
-
Processing
NMR software
Name
Version
Classification
XwinNMR
2.5
collection
NMRPipe
2
processing
Felix
2000.1
dataanalysis
CNS
1
refinement
CNS
1
structuresolution
Refinement
Method: distance geometry, simulated annealing / Software ordinal: 1 Details: the structures are based on a total of 2337 NOE-derived restraints, 206 dihedral angle restraints, and 60 distance restraints from hydrogen bonds.
NMR representative
Selection criteria: lowest energy conformer
NMR ensemble
Conformer selection criteria: back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the ...Conformer selection criteria: back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy Conformers calculated total number: 1000 / Conformers submitted total number: 10
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