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6M3N

Solution structure of anti-CRISPR AcrIF7

Authors

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

Assembly

anti-CRIPSR AcrIF7

Entity

1. anti-CRIPSR AcrIF7 (polymer, Thiol state: not present), 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, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 90.2 %, Completeness (bb): 95.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.2 % (683 of 757)	90.3 % (346 of 383)	88.3 % (265 of 300)	97.3 % (72 of 74)
Backbone	95.1 % (390 of 410)	93.0 % (132 of 142)	96.0 % (193 of 201)	97.0 % (65 of 67)
Sidechain	86.1 % (353 of 410)	88.8 % (214 of 241)	81.5 % (132 of 162)	100.0 % (7 of 7)
Aromatic	66.0 % (62 of 94)	78.7 % (37 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. anti-CRIPSR AcrIF7

GHMTTFTSIV TTNPDFGGFE FYVEAGQQFD DSAYEEAYGV SVPSAVVEEM NAKAAQLKDG EWLNVSHEA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

Release date

2020-08-23

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

Related entities 1. anti-CRIPSR AcrIF7, : 1 : 1 : 5 entities Detail

Experiments performed 10 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 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

3 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

4 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

5 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

6 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

7 3D HNCO

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

8 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

9 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

10 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 0.6 mM [U-99% 13C; U-99% 15N] AcrIF7, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	AcrIF7	[U-99% 13C; U-99% 15N]	protein	0.6 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	DTT	natural abundance		2 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

nullKeywords Hydrolase Inhibitor, VIRAL PROTEIN, anti-CRISPR inhibitor