Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Remark 999
SEQUENCE The sequence of the protein has 100% match with the sequence from GB entry CAA31207 (ACP-I ...SEQUENCE The sequence of the protein has 100% match with the sequence from GB entry CAA31207 (ACP-I polypeptide, synthetic construct).
Mass: 8844.879 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: ACP isoform I from Spinach / Source: (gene. exp.) Spinacia oleracea (spinach) / Gene: ACL1.1 / Plasmid: pSACP-2t / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P07854
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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
3D 15N-separated NOESY
1
2
2
3D 13C-separated NOESY
NMR details
Text: Backbone phi/psi angle restraints using TALOS: Cornilescu et al. (1999) JBNMR 13: 289-302.
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
5mMMESpH6.1, 100mMNaCl, 2mMProtein, 95% H2O/D2O
95% H2O/D2O
2
5mMMESpH6.1, 100mMNaCl, 2mMProtein, 100% D2O
100% D2O
Sample conditions
Ionic strength: 100 mM NaCl / pH: 6.1 / Pressure: 1 atm / Temperature: 287 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
750
1
Bruker DMX
Bruker
DMX
600
2
Varian INOVA
Varian
INOVA
600
3
Bruker DMX
Bruker
DMX
500
4
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Processing
NMR software
Name
Version
Developer
Classification
XwinNMR
2.6
Bruker
collection
VNMR
6.1
Varian
collection
NMRPipe
2.3
Delaglio, F.
processing
Sparky
3.111
Goddard, T.D. andKneller, D.G.
dataanalysis
CYANA
2
Guntert, P
structuresolution
XPLOR-NIH
2.0.6
refinement
Refinement
Method: Torsion Angle Dynamics, Cartesian Dynamics water refinement Software ordinal: 1 Details: Residues 31 through 39 are disordered in the structure
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20
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