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BMRB: 5891

1XSX

1H, 15N and 13C NMR Assignments and Secondary Structure of a Hyperthermophile DNA-binding Protein Predicted to contain an Extended Coiled Coil Domain

Authors

Kahsai, M., Singh, S., Gupta, R., Edmondson, S.P., Shriver, J.W.

Assembly

Sso10a

Entity

1. Sso10a (polymer, Thiol state: all free), 95 monomers, 11083.04 × 2 Da Detail

AKKKSKLEII QAILEACKSG SPKTRIMYGA NLSYALTGRY IKMLMDLEII RQEGKQYMLT KKGEELLEDI RKFNEMRKNM DQLKEKINSV LSIRQ

Total weight

22166.08 Da

Max. entity weight

11083.04 Da

Source organism

Saccharolobus solfataricus

Exptl. method

NMR

Refine. method

Simulated annealing using cartesion and torsion angle dynamics.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.3 %, Completeness (bb): 97.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.3 % (1086 of 1190)	87.9 % (559 of 636)	96.5 % (435 of 451)	89.3 % (92 of 103)
Backbone	97.2 % (552 of 568)	97.4 % (189 of 194)	97.1 % (272 of 280)	96.8 % (91 of 94)
Sidechain	86.4 % (615 of 712)	82.8 % (366 of 442)	95.4 % (249 of 261)	0.0 % (0 of 9)
Aromatic	100.0 % (42 of 42)	100.0 % (21 of 21)	100.0 % (21 of 21)
Methyl	93.3 % (97 of 104)	92.3 % (48 of 52)	94.2 % (49 of 52)

1. Sso10a

AKKKSKLEII QAILEACKSG SPKTRIMYGA NLSYALTGRY IKMLMDLEII RQEGKQYMLT KKGEELLEDI RKFNEMRKNM DQLKEKINSV LSIRQ

Show sample condition

Sample

Temperature 303 (±0.2) K, pH 5.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Sso10a	[U-98% 13C; U-98% 15N]		2.5 mM

LACS Plot; CA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 11 models in PDB: 1XSX, Strand ID: A, B Detail

Release date

2004-07-29

Citation

1H, 15N and 13C NMR Assignments and Secondary Structure of a Hyperthermophile DNA-binding Protein Predicted to contain an Extended Coiled Coil Domain
Kahsai, M., Singh, S., Gupta, R., Edmondson, S.P., Shriver, J.W.
J. Biomol. NMR (2003), PubMed , DOI:

Related entities 1. Sso10a, : 1 : 1 : 10 entities Detail

Experiments performed 14 experiments Detail

1 HNHA