ELECTRON TRANSPORT / RUBREDOXIN / GUILLARDIA THETA / ZINC- SUBSTITUTION / DIPOLAR COUPLINGS
Function / homology
Function and homology information
alkane catabolic process / DNA-directed RNA polymerase complex / chloroplast / electron transfer activity / iron ion binding / membrane Similarity search - Function
Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn
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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
1H-1H NOESY
1
2
1
1H-1H TOCSY 1H-15N HSQC
1
3
1
1H-13C CT-HS 15N-EDITED NOESY(3D)
1
4
1
13C-EDITED NOESY(3D) HNCOHNCA
1
5
1
HN(CA)CB
1
6
1
CBCA(CO)NHHBHA (CO)NH
1
7
1
HNHA
1
8
1
(H)CCH-CO
NMR details
Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED, ZINC-SUBSTITUTED RUBREDOXIN
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Sample preparation
Sample conditions
pH: 6.4 / Temperature: 298 K
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NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker DRX
Bruker
DRX
600
1
Bruker DRX
Bruker
DRX
600
2
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Processing
NMR software
Name
Developer
Classification
X-PLOR
BRUNGER
refinement
NMRView
structuresolution
NDEE
structuresolution
Refinement
Method: simulated annealing / Software ordinal: 1 Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. THE IRON-ATOM PRESENT IN THE NATIVE RUBREDOXIN WAS REPLACE BY ZINC IN ORDER TO AVOID PARAMAGNETIC EFFECTS.
NMR ensemble
Conformer selection criteria: LEAST RESTRAINT VIOLATION, LOWEST ENERGY Conformers calculated total number: 120 / Conformers submitted total number: 29
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