back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with the least restraint violations, structures with the lowest energy
Mass: 7659.605 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: This sequence comes from the Histone H4-12 gene of Mus musculus. In vitro transcription using T7 RNA polymerase.
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
3D 13C HMQC-NOESY
1
2
1
3D (H)CCH-E.COSY
1
3
1
3D HCC-TOCSY-CCH-E.COSY
1
4
1
spin echo difference CT-HSQC
2
5
2
HNN-COSY
NMR details
Text: The structure was determined using standard heteronuclear triple resonance experiments
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
1 mM U-15N/13C 24mer RNA
100% D2O
2
1 mM U-15N 24mer RNA
10% D2O / 90% H2O
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
10mMsodiumphosphate, 0.1mMEDTA
6.0
ambient
298K
2
10mMsodiumphosphate, 0.1mMEDTA
6.0
ambient
285K
Crystal grow
*PLUS
Method: other / Details: NMR
-
NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker DRX
Bruker
DRX
600
1
Bruker DRX
Bruker
DRX
800
2
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Processing
NMR software
Name
Version
Developer
Classification
XwinNMR
2.6
Bruker, Germany
collection
NMRPipe
1.8
Delaglioetal.
processing
XEASY
1.2
Bartelsetal.
dataanalysis
ARIA/CNS
1
Linge, Nilges
structuresolution
Amber
6
Caseetal.
refinement
Refinement
Method: Molecular Dynamics, Simulated Annealing / Software ordinal: 1 Details: The structures are calculated with 451 distance restraints, 23 hydrogen bond restraints and 158 torsion angle restraints. The structures were calculated in ARIA/CNS and refined using AMBER.
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with the least restraint violations, structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 15
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