BMRB: 4509

Automated 2D NOESY Assignment and Structure Calculation of crambin(S22/I25) with Self-Correcting Distance Geometry Based NOAH/DIAMOND Programs

Authors

Xu, Y., Wu, J., Gorenstein, D., Braun, W.

Assembly

crambin

Entity

1. crambin (polymer, Thiol state: not reported), 46 monomers, 4726.392 Da Detail

TTCCPSIVAR SNFNVCRLPG TSEAICATYT GCIIIPGATC PGDYAN

Formula weight

4726.392 Da

Source organism

Dicksonia antarctica

Exptl. method

NMR

Refine. method

SELF-CORRECTING DISTANCE GEOMETRY

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.7 %, Completeness (bb): 93.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	85.7 % (204 of 238)	85.7 % (204 of 238)
Backbone	93.5 % (86 of 92)	93.5 % (86 of 92)
Sidechain	80.8 % (118 of 146)	80.8 % (118 of 146)
Aromatic	53.8 % (7 of 13)	53.8 % (7 of 13)
Methyl	92.6 % (25 of 27)	92.6 % (25 of 27)

1. crambin

TTCCPSIVAR SNFNVCRLPG TSEAICATYT GCIIIPGATC PGDYAN

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5, Details (SER/ILE)

#	Name	Isotope labeling	Type	Concentration
1	crambin			2.5 mM
2	acetone	[U-2H]		75 %
3	H2O			20 %
4	D2O			5 %

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Calculated from 10 models in PDB: 1CXR, Strand ID: A Detail

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Release date

2000-10-05

Citation

Automated 2D NOESY assignment and structure calculation of Crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs
Xu, Y., Wu, J., Gorenstein, D., Braun, W.
J. Magn. Reson. (1999), 136, 76-85, PubMed 9887292 , DOI 10.1006/jmre.1998.1616 , Abstract

Related entities 1. crambin, : 1 : 8 : 1 : 67 entities Detail

Experiments performed 3 experiments Detail