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BMRB: 28082

6M3N

Solution structure of anti-CRISPR protein AcrIF7 from Pseudomonas aeruginosa Phage

Authors

Kim, I., Koo, J., An, S., Bae, E., Suh, J.

Assembly

AcrIF7 monomer

Entity

1. AcrIF7 monomer (polymer, Thiol state: all free), 69 monomers, 7522.039 Da Detail

GHMTTFTSIV TTNPDFGGFE FYVEAGQQFD DSAYEEAYGV SVPSAVVEEM NAKAAQLKDG EWLNVSHEA

Formula weight

7522.039 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 93.3 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.3 % (706 of 757)	94.8 % (363 of 383)	90.0 % (270 of 300)	98.6 % (73 of 74)
Backbone	97.1 % (398 of 410)	95.8 % (136 of 142)	97.5 % (196 of 201)	98.5 % (66 of 67)
Sidechain	90.0 % (369 of 410)	94.2 % (227 of 241)	83.3 % (135 of 162)	100.0 % (7 of 7)
Aromatic	68.1 % (64 of 94)	83.0 % (39 of 47)	52.2 % (24 of 46)	100.0 % (1 of 1)
Methyl	98.5 % (65 of 66)	100.0 % (33 of 33)	97.0 % (32 of 33)

1. AcrIF7

GHMTTFTSIV TTNPDFGGFE FYVEAGQQFD DSAYEEAYGV SVPSAVVEEM NAKAAQLKDG EWLNVSHEA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

Release date

2020-02-17

Citation

Structural and mechanistic insights into the CRISPR inhibition of AcrIF7
Kim, I., Koo, J., An, S.Y., Hong, S., Ka, D., Kim, E.H., Bae, E., Suh, J.Y.
Nucleic Acids Res. (2020), 48, 9959-9968, PubMed 32810226 , DOI 10.1093/nar/gkaa690 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 36320 released on 2020-08-23
Title Solution structure of anti-CRISPR AcrIF7

Related entities 1. AcrIF7 monomer, : 1 : 1 : 5 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

4 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

5 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

8 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

11 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 0.6 mM AcrIF7

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]		0.6 mM
2	HEPES	natural abundance		20 mM
3	sodium chloride	natural abundance		200 mM
4	DTT	natural abundance		1 mM
5	EDTA	natural abundance		1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr28082_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: bmr28082_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	770		97.1 (chain: 1, length: 69)
1	Chemical shift references	chem_shift_reference	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: 69, Sequence coverage: 97.1%
- Total number of assignments
  - ¹H chemical shifts: 430
  - ¹³C chemical shifts: 268
  - ¹⁵N chemical shifts: 72
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- 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