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BMRB: 17481

2L9P

Solution NMR Structure of Q5HLI9 from Staphylococcus epidermidis, Northeast Structural Genomics Consortium Target SeR147

Authors

Mills, J.L., Eletsky, A., Lee, H., Lee, D., Ciccosanti, C., Sapin, A., Mao, L., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Prestegard, J.H., Montelione, G.T., Szyperski, T.

Assembly

SeR147

Entity

1. SeR147 (polymer, Thiol state: not present), 164 monomers, 18754.89 Da Detail

MTIEKKKNKI IFTRTFSAPI NKVFDAYTKR ELFEQWFHPQ DASVTVYDFN ATKGGSAFYA IQAPQMISYT IAEYLQVDAP YYIEYLDYFA TSKGEKDTSM PGMHITLNFE EVKGKTTVTS TSTFPTESAA QQAIDMGVET GMNSTLNQLE KLLNQKLEHH HHHH

Formula weight

18754.89 Da

Source organism

Staphylococcus epidermidis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.1 %, Completeness: 87.4 %, Completeness (bb): 91.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.4 % (1704 of 1950)	88.9 % (894 of 1006)	84.7 % (651 of 769)	90.9 % (159 of 175)
Backbone	91.0 % (885 of 972)	91.5 % (301 of 329)	91.1 % (442 of 485)	89.9 % (142 of 158)
Sidechain	85.1 % (966 of 1135)	87.6 % (593 of 677)	80.7 % (356 of 441)	100.0 % (17 of 17)
Aromatic	55.6 % (120 of 216)	69.4 % (75 of 108)	41.1 % (44 of 107)	100.0 % (1 of 1)
Methyl	97.6 % (162 of 166)	97.6 % (81 of 83)	97.6 % (81 of 83)

1. SeR147

MTIEKKKNKI IFTRTFSAPI NKVFDAYTKR ELFEQWFHPQ DASVTVYDFN ATKGGSAFYA IQAPQMISYT IAEYLQVDAP YYIEYLDYFA TSKGEKDTSM PGMHITLNFE EVKGKTTVTS TSTFPTESAA QQAIDMGVET GMNSTLNQLE KLLNQKLEHH HHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	SeR147	[U-100% 13C; U-100% 15N]	0.6 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	5 mM
4	sodium azide	natural abundance	0.02 %
5	TRIS	natural abundance	10 mM
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
8	SeR147	[U-5% 13C; U-100% 15N]	0.62 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	5 mM
11	sodium azide	natural abundance	0.02 %
12	TRIS	natural abundance	10 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
15	SeR147	[U-5% 13C; U-100% 15N]	0.41 mM
16	sodium chloride	natural abundance	100 mM
17	DTT	natural abundance	5 mM
18	sodium azide	natural abundance	0.02 %
19	TRIS	natural abundance	10 mM
20	phage	natural abundance	13.2 mg/mL
21	H2O	natural abundance	95 %
22	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.19 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.19 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.13 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.27 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L9P, Strand ID: A Detail

Release date

2011-05-01

Related entities 1. SeR147, : 1 : 7 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC