BMRB: 17896

NOE-based 3D structure of the monomeric intermediate of CylR2 at 262K (-11 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: 68.5 %, Completeness (bb): 67.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	68.5 % (576 of 841)	72.1 % (321 of 445)	57.9 % (186 of 321)	92.0 % (69 of 75)
Backbone	67.4 % (263 of 390)	84.6 % (110 of 130)	47.7 % (94 of 197)	93.7 % (59 of 63)
Sidechain	68.0 % (351 of 516)	67.0 % (211 of 315)	68.8 % (130 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 262 K, pH 7.0, Details sample was in 10 capillaries ca. 25-30 uL, each inserted into the regular NMR tube

#	Name	Isotope labeling	Type	Concentration
1	CylR2	[U-100% 13C; U-100% 15N]		0.52 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: 2LYQ, 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 6 experiments Detail