5VW1

Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CRISPR-associated endonuclease Cas9/Csn1	polymer	1370	158732.9	1	UniProt (Q99ZW2) Pfam (PF16593) Pfam (PF16592) Pfam (PF13395) Pfam (PF22702) Pfam (PF16595)	Streptococcus pyogenes serotype M1	SpCas9,SpyCas9
2	B (C)	sgRNA	polymer	85	27400.3	1		Listeria monocytogenes
3	C (B)	anti-CRISPR protein AcrIIA4	polymer	89	10326.2	1	UniProt (A0A0E0UT28)	Listeria monocytogenes serotype 4a (strain M7)
4	D, E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	F, I (A, C)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	G (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	H (C)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
8	J, K, L (A, C, B)	water	water		18.0	190	Chemie (HOH)

Sequence modifications

A: 1 - 1368 (UniProt: Q99ZW2)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 10	Asp 10	engineered mutation
Ala 840	His 840	engineered mutation

B: 1 - 87 (UniProt: A0A0E0UT28)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Asn 4	Ser 4	see REMARK 999
Asp 5	Glu 5	see REMARK 999
Thr 16	Ala 16	see REMARK 999
Lys 18	Arg 18	see REMARK 999
Ser 20	Glu 20	see REMARK 999
Ser 24	Asp 24	see REMARK 999
Gln 29	Lys 29	see REMARK 999
Arg 33	Asp 33	see REMARK 999
Asn 35	Asp 35	see REMARK 999
Glu 47	Lys 47	see REMARK 999
Val 52	Ala 52	see REMARK 999
Ile 56	Ala 56	see REMARK 999
Ala 58	Thr 58	see REMARK 999
Gln 65	Lys 65	see REMARK 999
Thr 79	Ser 79	see REMARK 999
Thr 81	Ile 81	see REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	196459.4
Non-Polymers*	Number of molecules	6
	Total formula weight	687.1
All*	Total formula weight	197146.5

*Water molecules are not included.