Mass: 6774.541 Da / Num. of mol.: 1 / Fragment: N-TERMINAL SH3 DOMAIN (residues 135-191) / Mutation: R191G, E135C, deleted A134 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: CRK / Plasmid: PGEX-6P-1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q64010
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D TOCSY
1
2
1
2D NOESY
1
3
1
DQF-COSY
1
4
2
2D HSQC
1
5
2
2D TOCSY
NMR details
Text: This structure was determined using standard 2D homonuclear techniques combined with 2D 1H-15N HSQC data.
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
1mM SH3 NA, 20mM sodium phosphate, 20 mM DTT-d10, 100 mM NaCl, 0.1% (w/v) NaN3
90% H2O/10% D2O
2
1mM SH3 U-15N, 20mM sodium phosphate, 20 mM DTT-d10, 100 mM NaCl, 0.1% (w/v) NaN3
90% H2O/10% D2O
Sample conditions
Ionic strength: 100 mM NaCl / pH: 7.2 / Pressure: ambient / Temperature: 307 K
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NMR measurement
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker DMX
Bruker
DMX
500
1
Bruker DMX
Bruker
DMX
600
2
Bruker DRX
Bruker
DRX
600
3
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Processing
NMR software
Name
Version
Developer
Classification
XwinNMR
2.6, 3.0
Bruker
collection
XEASY
1.3.1.3
Bartels, Xia, Wuethrich
dataanalysis
DYANA
1.6
Guentert
structuresolution
DYANA
Guentert, Wuethrich
refinement
Refinement
Method: Simulated annealing, torsion angle dynamics / Software ordinal: 1 Details: The structures are based on 1090 restraints, 993 are NOE-derived distance contraints, 25 dihedral angle constraints, and 72 distance restraints from hydrogen bonds. Structures were ...Details: The structures are based on 1090 restraints, 993 are NOE-derived distance contraints, 25 dihedral angle constraints, and 72 distance restraints from hydrogen bonds. Structures were calculated using program DYANA. No further refinement was performed.
NMR representative
Selection criteria: lowest target function
NMR ensemble
Conformer selection criteria: structures with the lowest target function Conformers calculated total number: 200 / Conformers submitted total number: 20
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