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BMRB: 25642

2N3D

Atomic structure of the cytoskeletal bactofilin BacA revealed by solid-state NMR

Authors

Shi, C., Fricke, P., Lin, L., Chevelkov, V., Wegstroth, M., Becker, S., Thanbichler, M., Lange, A.

Assembly

cytoskeletal bactofilin BacA

Entity

1. cytoskeletal bactofilin BacA (polymer, Thiol state: not present), 184 monomers, 19340.51 Da Detail

MFSKQAKSNN KAPARIEPLP TPMAATPAEP ARRAPPKVAS LLSADLTIEG GVTGEGELQI DGVVKGDVRV GRLTVGETGH VEGSVYAEAV EVRGRVVGAI TSKQVRLYGT SYVDGDITHE QLAMETGAFF QGRSLKFQRP APAPSQPAPH PEHLAIAKSA GGAPENSSSV DKLAAALEHH HHHH

Formula weight

19340.51 Da

Source organism

Caulobacter vibrioides

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 58.7 %, Completeness: 33.2 %, Completeness (bb): 47.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	33.2 % (664 of 2000)	15.0 % (155 of 1035)	51.1 % (402 of 786)	59.8 % (107 of 179)
Backbone	47.4 % (509 of 1074)	30.7 % (114 of 371)	54.5 % (291 of 534)	61.5 % (104 of 169)
Sidechain	22.3 % (243 of 1092)	6.2 % (41 of 664)	47.6 % (199 of 418)	30.0 % (3 of 10)
Aromatic	12.5 % (13 of 104)	1.9 % (1 of 52)	23.1 % (12 of 52)
Methyl	29.6 % (61 of 206)	5.8 % (6 of 103)	53.4 % (55 of 103)

1. sample uni

Show sample condition

Sample #1

Solvent system 100% H2O, Pressure 1 atm, Temperature 277 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sample_uni	[U-100% 13C; U-100% 15N]	95 %
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	3 %
4	DSS	natural abundance	0.1 %

Sample #2

Solvent system 100% H2O, Pressure 1 atm, Temperature 277 K, pH 7.5

#	Name	Isotope labeling	Concentration
5	sample_uni	[2- 13C] Glycerol	95 %
6	TRIS	natural abundance	20 mM
7	H2O	natural abundance	3 %
8	DSS	natural abundance	0.1 %

Sample #3

Solvent system 100% H2O, Pressure 1 atm, Temperature 277 K, pH 7.5

#	Name	Isotope labeling	Concentration
9	sample_uni	[1,3- 13C] Glycerol	95 %
10	TRIS	natural abundance	20 mM
11	H2O	natural abundance	3 %
12	DSS	natural abundance	0.1 %

Sample #4

Solvent system 100% H2O, Pressure 1 atm, Temperature 277 K, pH 7.5

#	Name	Isotope labeling	Concentration
13	sample_deu	[U-100% 13C; U-100% 15N; U-100% 2H]	95 %
14	TRIS	natural abundance	50 mM
15	H2O	natural abundance	3 %
16	DSS	natural abundance	0.1 %
17	EDTA	natural abundance	0.5 mM
18	DTT	natural abundance	1 mM

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: -0.13 ppm, Outliers: 1 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: -0.13 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: 0.45 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N3D, Strand ID: A Detail

Release date

2015-12-13

Citation

Atomic-resolution structure of cytoskeletal bactofilin by solid-state NMR
Shi, C., Fricke, P., Lin, L., Chevelkov, V., Wegstroth, M., Becker, S., Thanbichler, M., Lange, A.
Sci. Adv. (2015), 1, e1501087-e1501087, PubMed 26665178 , DOI 10.1126/sciadv.1501087 , Abstract

Related entities 1. cytoskeletal bactofilin BacA, : 4 entities Detail

Experiments performed 16 experiments Detail

1 PDSD