BMRB: 17898

NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees)

Authors

Jaremko, M., Jaremko, L., Kim, H., Cho, M., Schwieters, C.D., Giller, K., Becker, S., Zweckstetter, M.

Assembly

CylR2

Entity

1. CylR2 (polymer, Thiol state: not present), 66 monomers, 7715.914 Da Detail

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

Formula weight

7715.914 Da

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 74.9 %, Completeness (bb): 72.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	74.9 % (630 of 841)	79.6 % (354 of 445)	64.2 % (206 of 321)	93.3 % (70 of 75)
Backbone	72.6 % (283 of 390)	88.5 % (115 of 130)	54.8 % (108 of 197)	95.2 % (60 of 63)
Sidechain	76.2 % (393 of 516)	75.9 % (239 of 315)	76.2 % (144 of 189)	83.3 % (10 of 12)
Aromatic	43.5 % (20 of 46)	43.5 % (10 of 23)	45.5 % (10 of 22)	0.0 % (0 of 1)
Methyl	100.0 % (88 of 88)	100.0 % (44 of 44)	100.0 % (44 of 44)

1. CylR2

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 257 (±0.2) K, pH 7.0 (±0.02), Details sample was in 10 capillaries ca. 25-30 uL, each inserted into a 5 mm NMR tube

#	Name	Isotope labeling	Type	Concentration
1	CylR2	[U-100% 13C; U-100% 15N]		0.52 (±0.05) mM
2	sodium chloride	natural abundance		600 mM
3	HEPES	natural abundance		50 mM
4	H2O	natural abundance		93 %
5	D2O	natural abundance		7 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 2LYS, Strand ID: A Detail

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Release date

2013-02-14

Citation

Cold denaturation of a protein dimer monitored at atomic resolution
Jaremko, M., Jaremko, L., Kim, H., Cho, M., Schwieters, C.D., Giller, K., Becker, S., Zweckstetter, M.
Nat. Chem. Biol. (2013), 9, 264-270, PubMed 23396077 , DOI 10.1038/nchembio.1181 , Abstract

Related entities 1. CylR2, : 1 : 9 : 2 : 58 entities Detail

Experiments performed 5 experiments Detail