BMRB: 5204

1H, 13C and 15N chemical shift assignments for CRT(189-261)

Authors

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

Assembly

Calreticulin P-domain fragment 189-261

Entity

1. Calreticulin P-domain fragment 189-261 (polymer, Thiol state: not present), 74 monomers, 8767.355 Da Detail

SKKIKDPDAA KPEDWDERAK IDDPTDSKPE DWDKPEHIPD PDAKKPEDWD EEMDGEWEPP VIQNPEYKGE WKPR

Formula weight

8767.355 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.1 %, Completeness (bb): 83.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.1 % (813 of 892)	98.8 % (476 of 482)	79.2 % (270 of 341)	97.1 % (67 of 69)
Backbone	83.3 % (350 of 420)	97.8 % (135 of 138)	70.5 % (155 of 220)	96.8 % (60 of 62)
Sidechain	95.8 % (521 of 544)	96.5 % (332 of 344)	94.3 % (182 of 193)	100.0 % (7 of 7)
Aromatic	83.3 % (60 of 72)	86.1 % (31 of 36)	77.4 % (24 of 31)	100.0 % (5 of 5)
Methyl	100.0 % (30 of 30)	100.0 % (15 of 15)	100.0 % (15 of 15)

1. Calreticulin P-domain fragment

SKKIKDPDAA KPEDWDERAK IDDPTDSKPE DWDKPEHIPD PDAKKPEDWD EEMDGEWEPP VIQNPEYKGE WKPR

Show sample condition

Sample

Temperature 293.4 (±0.5) K, pH 6.3 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Calreticulin P-domain fragment	[U-15N; U-13C]		3 mM
2	sodium phosphate buffer			50 mM
3	CaCl2			10 mM
4	D20			25 uL
5	H20			275 uL

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LACS Plot; CA

Referencing offset: -0.05 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.05 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 20 models in PDB: 1K9C, Strand ID: A Detail

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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: , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. Calreticulin P-domain fragment 189-261, : 1 : 1 : 6 : 110 entities Detail

Interaction partners 1. Calreticulin P-domain fragment 189-261, : 1 interactors Detail

Experiments performed 6 experiments Detail