BMRB: 5205

1H chemical shift assignemnts and coupling constants for CRT(221-256)

Authors

Ellgaard, L., Bettendorff, P., Braun, D., Herrmann, T., Fiorito, F., Guentert, P., Helenius, A., Wuethrich, K.

Assembly

Calreticulin P-domain fragment 221-256

Entity

1. Calreticulin P-domain fragment 221-256 (polymer, Thiol state: not present), 36 monomers, 4246.526 Da Detail

KPEHIPDPDA KKPEDWDEEM DGEWEPPVIQ NPEYKG

Formula weight

4246.526 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Refine. method

torsion angle dynamics simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.3 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.3 % (230 of 234)	98.3 % (230 of 234)
Backbone	100.0 % (67 of 67)	100.0 % (67 of 67)
Sidechain	97.6 % (163 of 167)	97.6 % (163 of 167)
Aromatic	88.9 % (16 of 18)	88.9 % (16 of 18)
Methyl	100.0 % (7 of 7)	100.0 % (7 of 7)

1. Calreticulin P-domain fragment.

KPEHIPDPDA KKPEDWDEEM DGEWEPPVIQ NPEYKG

Show sample condition

Sample

Temperature 280 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Calreticulin P-domain fragment.			5.3 mM
2	sodium phosphate buffer			50 mM
3	NaCl			25 mM
4	D20			50 uL
5	H20			550 uL

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Calculated from 20 models in PDB: 1K91, Strand ID: A Detail

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Coupling constant

54 J values in 1 lists
Temperature 280 (±0.5) K, pH 6.5 (±0.1) Detail

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Temperature 280 (±0.5) K, pH 6.5 (±0.1)

List #1 coupling_constant

Release date

2002-09-11

Citation

NMR structures of 36 and 73-residue fragments of the calreticulin P-domain
Ellgaard, L., Bettendorff, P., Braun, D., Herrmann, T., Fiorito, F., Jelesarov, I., Guentert, P., Helenius, A., Wuethrich, K.
J. Mol. Biol. (2002), 322, 773-784, PubMed 12270713 , DOI 10.1016/s0022-2836(02)00812-4 , Abstract

Related entities 1. Calreticulin P-domain fragment 221-256, : 1 : 15 : 102 entities Detail

Interaction partners 1. Calreticulin P-domain fragment 221-256, : 1 interactors Detail

Experiments performed 4 experiments Detail