Mass: 6451.364 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhynchosporium secalis (leaf blotch of barley) Gene: Nip1 / Plasmid: pQE30 / Production host: Escherichia coli (E. coli) / Strain (production host): AD494 / References: UniProt: Q02039
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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
1
HNHA
1
3
1
HNHB
1
4
2
2D NOESY
1
5
3
2D NOESY
1
6
2
DQF-COSY
1
7
1
HMQC-NOESY-HMQC
1
8
1
HMQC-NOESY-HMQC
1
9
1
2D HMQC-J
1
10
3
DQF-COSY
NMR details
Text: Disulfide bond pattern was determined independently
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
2.0mMNIP1, 97% 15Nincorporation
H2O
2
2.0mMNIP1, unlabeled
H2O
3
2.0mMNIP1, unlabeled
D2O
Sample conditions
pH: 6 / Pressure: ambient / Temperature: 298 K
Crystal grow
*PLUS
Method: other / Details: NMR
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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
600
1
Varian INOVA
Varian
INOVA
500
2
Varian INOVA
Varian
INOVA
800
3
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Processing
NMR software
Name
Version
Developer
Classification
DYANA
1.5
Guntert
structuresolution
NMRPipe
version1.8Rev2001.030.21.27
Delaglio
processing
XEASY
1.3.13
Bartels
dataanalysis
DYANA
1.5
Guntert
refinement
Refinement
Method: torsion angle dynamics / Software ordinal: 1 Details: The structures are besed on a total of 785 restraints: 740 NOE restraints and 45, 40 torsion angle restraints and 5 disulfide bonds
NMR representative
Selection criteria: closest to the average
NMR ensemble
Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 25
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