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BMRB: 15847

2K5R

Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39

Authors

Tang, Y., Wang, H., Jiang, M., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

XF2673

Entity

1. XF2673 (polymer, Thiol state: not present), 97 monomers, 10981.41 Da Detail

MDRKLLHLLC SPDTRQPLSL LESKGLEALN KAIVSGTVQR ADGSIQNQSL HEALITRDRK QVFRIEDSIP VLLPEEAIAT IQIANFPDKL EHHHHHH

Formula weight

10981.41 Da

Source organism

Xylella fastidiosa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.9 %, Completeness: 90.0 %, Completeness (bb): 91.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.0 % (1027 of 1141)	90.8 % (541 of 596)	89.0 % (395 of 444)	90.1 % (91 of 101)
Backbone	91.3 % (522 of 572)	92.2 % (177 of 192)	90.6 % (261 of 288)	91.3 % (84 of 92)
Sidechain	86.7 % (575 of 663)	87.1 % (352 of 404)	86.4 % (216 of 250)	77.8 % (7 of 9)
Aromatic	30.8 % (16 of 52)	30.8 % (8 of 26)	30.8 % (8 of 26)
Methyl	90.5 % (114 of 126)	90.5 % (57 of 63)	90.5 % (57 of 63)

1. XF2673

MDRKLLHLLC SPDTRQPLSL LESKGLEALN KAIVSGTVQR ADGSIQNQSL HEALITRDRK QVFRIEDSIP VLLPEEAIAT IQIANFPDKL EHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	XfR39	[U-100% 13C; U-100% 15N]	1.0 mM
2	MES	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	CaCl2	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.02 %
7	DSS	natural abundance	50 uM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	XfR39	[U-5% 13C; U-100% 15N]	1.0 mM
9	MES	natural abundance	20 mM
10	NaCl	natural abundance	100 mM
11	CaCl2	natural abundance	5 mM
12	DTT	natural abundance	10 mM
13	NaN3	natural abundance	0.02 %
14	DSS	natural abundance	50 uM

LACS Plot; CA

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

Referencing offset: 0.12 ppm, Outliers: 5 Detail

LACS Plot; CB

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

Referencing offset: 0.12 ppm, Outliers: 5 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.38 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K5R, Strand ID: A Detail

Release date

2008-09-18

Citation

Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
Tang, Y., Wang, H., Jiang, M., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T.
Not known

Related entities 1. XF2673, : 1 : 1 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC