Question from NMRWiki Q&A forum Locking in new solvent

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[Question from NMRWiki Q&A forum] Locking in new solvent

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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07-13-2012, 10:46 PM

nmrlearner

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Locking in new solvent

Locking in new solvent

Hello,

I am trying to determine solution structure of a peptide in 50% trifluoroethanol(TFE) solution. I dissolved my peptide in 50% TFE-d3/50%H2O solution. When I enter "lock" on command table, I cannot find lock value on this solvent. (I am bruker 600 Hz NMR and using topspin 2.1 software). I tried to select TFE on the lock table, but the lock signal was wobbling too much and the line shape was not good.I tried to find lock value of 50% TFE on the internet, but I could not find. In this case, how should I do? I hope someone could me suggest any ideas about this.

Thank you very much.

Glenn

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