Question from NMRWiki Q&A forum How to perform non-selective spectroscopy with an imager?

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[Question from NMRWiki Q&A forum] How to perform non-selective spectroscopy with an imager?

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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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03-15-2012, 06:10 AM

nmrlearner

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How to perform non-selective spectroscopy with an imager?

How to perform non-selective spectroscopy with an imager?

Greetings NMR Wiki,

I am using a Bruker Biospec 24/30, (100 MHz 1H, DBX, Pv3, XWIN), equiped with a 36mm litz coil probe, to perform basic T1 & T2 measurements as well as DOSY. The sample is water. Images look great, basic spectroscopy has a systematic error.

My prior NMR experience is in chemistry on solid state systems using the chemagnetics CMX II type spectrometer. The Bruker instrument has been sending pulses for 6 months after I made a few repairs and was dormant (cold but not pulsing) for 5 years prior.

Is anyone out there using this class instrument for basic research?What are 'good' spectroscopic parameters to use for quantifying the relaxation dynamics of water in various substrates?How best to adjust the gain for the 90 & 180, and set the automatic adjustments to agree with manual adjustments? (non-selective, whole volume is 32mm x 54mm)How does one choose an appropriate gradient strength for spoiling or crushing?

Thank you for reading. Comments, links to online resources and/or references greatly appreciated.

-BK

Once bitten by the MR bug, there is no cure.

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