BMRBj - BMREntryMaster

Found 1 Document (0.504 seconds)

BMRB: 18189

6KG9

DocA

Authors

Feng, Y., Cui, Z., Li, Y., Cui, Q.

Assembly

DocA

Entity

1. DocA (polymer, Thiol state: not present), 67 monomers, 7022.782 Da Detail

GSASNTILGD LNDDGVVNGR DIVMMRQYLA GKTVSGIDKN ALDINGDGAV NGRDLMELIK KVSNNTS

Formula weight

7022.782 Da

Source organism

Clostridium acetobutylicum

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.3 %, Completeness (bb): 99.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.3 % (702 of 714)	98.1 % (361 of 368)	98.5 % (266 of 270)	98.7 % (75 of 76)
Backbone	99.3 % (399 of 402)	99.3 % (142 of 143)	99.5 % (191 of 192)	98.5 % (66 of 67)
Sidechain	97.6 % (361 of 370)	97.3 % (219 of 225)	97.8 % (133 of 136)	100.0 % (9 of 9)
Aromatic	100.0 % (8 of 8)	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	100.0 % (82 of 82)	100.0 % (41 of 41)	100.0 % (41 of 41)

1. DocA

GSASNTILGD LNDDGVVNGR DIVMMRQYLA GKTVSGIDKN ALDINGDGAV NGRDLMELIK KVSNNTS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

LACS Plot; CA

Referencing offset: 0.46 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 0.46 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.12 ppm, Outliers: 4 Detail

Release date

2012-03-26

Citation

Resonance assignments of cohesin and dockerin domains from Clostridium acetobutylicum ATCC824
Cui, Z., Li, Y., Xiao, Y., Feng, Y., Cui, Q.
Biomol. NMR Assign. (2013), 7, 73-76, PubMed 22446850 , DOI 10.1007/s12104-012-9381-2 , Abstract

Related entities 1. DocA, : 1 : 4 : 29 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

2 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

3 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

4 3D CBCA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

5 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

6 3D HBHA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

7 3D HCCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

8 3D 1H-15N NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

9 3D 1H-13C NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

10 3D 1H-13C NOESY aromatic

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	DocA	[U-100% 13C; U-100% 15N]		0.6 mM
2	sodium acetate	natural abundance		20 mM
3	potassium chloride	natural abundance		100 mM
4	calcium chloride	natural abundance		1 mM
5	sodium azide	natural abundance		0.01 % w/v
6	DSS	natural abundance		0.05 % w/v

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr18189_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr18189_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	785		100.0 (chain: 1, length: 67)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 67, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 443
  - ¹³C chemical shifts: 266
  - ¹⁵N chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1