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BMRB: 16927

2KXY

Solution structure of SuR18C from Streptococcus thermophilus. Northeast Structural Genomics Consortium Target SuR18C

Authors

Liu, Y., Lee, H., Belote, R., Ciccosanti, C., Hamilton, K., Acton, T., Xiao, R., Everett, J., Montelione, G., Prestegard, J.

Assembly

protein sur18c

Entity

1. protein sur18c (polymer, Thiol state: not present), 100 monomers, 10995.36 Da Detail

KISLRKLSKS VPVKLELTGD KASNVSSISY SFDRGHVTIV GSQEAMDKID SITVPVDISQ VTEDTSKTLE LKAEGVTVQP STVKVNLKVT QKLEHHHHHH

Formula weight

10995.36 Da

Source organism

Streptococcus thermophilus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.0 %, Completeness: 84.1 %, Completeness (bb): 91.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.1 % (963 of 1145)	81.0 % (479 of 591)	85.8 % (387 of 451)	94.2 % (97 of 103)
Backbone	91.9 % (546 of 594)	90.5 % (182 of 201)	92.2 % (273 of 296)	93.8 % (91 of 97)
Sidechain	78.4 % (507 of 647)	76.2 % (297 of 390)	81.3 % (204 of 251)	100.0 % (6 of 6)
Aromatic	8.7 % (4 of 46)	8.7 % (2 of 23)	8.7 % (2 of 23)
Methyl	91.7 % (121 of 132)	98.5 % (65 of 66)	84.8 % (56 of 66)

1. protein sur18c

KISLRKLSKS VPVKLELTGD KASNVSSISY SFDRGHVTIV GSQEAMDKID SITVPVDISQ VTEDTSKTLE LKAEGVTVQP STVKVNLKVT QKLEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	protein sur18c	[U-99% 13C; U-99% 15N]	0.935 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	100 mM
6	sodium azide	natural abundance	3 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 5 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.51 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KXY, Strand ID: A Detail

Release date

2012-02-21

Citation

Chemical shift assignment for SuR18C from Streptococcus thermophilus, Northeast Structural Genomics Consortium Target SuR18C
Liu, Y., Lee, H., Belote, R., Ciccosanti, C., Hamilton, K., Acton, T., Xiao, R., Everett, J., Montelione, G., Prestegard, J.
Not known

Related entities 1. protein sur18c, : 1 : 2 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC