- PDB-1n9c: Structure and dynamics of reduced Bacillus pasteurii cytochrome c... -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 1n9c
Title
Structure and dynamics of reduced Bacillus pasteurii cytochrome c: oxidation state dependent properties and implications for electron transfer processes
Components
Cytochrome c-553
Keywords
ELECTRON TRANSPORT / cytochrome c / respiration / electron transfer / redox
Mass: 618.503 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C34H34FeN4O4
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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 NOESY
1
2
1
2D TOCSY
1
3
2
3D 15N-separated NOESY
1
4
2
HNHA
1
5
2
HNHB
1
6
2
3D-15N-separated TOCSY
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
2mMcytochrome, 100mMphosphatebuffer, pH7.0
90% H2O/10% D2O
2
1 mM cytochrome U-15N, 100mM phosphate buffer, pH 7.0
90% H2O/10% D2O
Sample conditions
Ionic strength: 100 mM Pi / pH: 7 / Pressure: ambient / Temperature: 296 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 AVANCE
Bruker
AVANCE
800
1
Bruker AVANCE
Bruker
AVANCE
500
2
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Processing
NMR software
Name
Version
Developer
Classification
DYANA
1.5
Guentert
structuresolution
XwinNMR
Bruker
collection
DYANA
1.5
Guentert
refinement
Refinement
Method: restrained energy minimization / Software ordinal: 1
NMR ensemble
Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 130 / Conformers submitted total number: 30
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