9MB7

Cryo-EM structure of eSaCas9-NNG-guide RNA-mismatched target DNA complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (C)	target DNA strand	polymer	43	13355.0	1		Staphylococcus aureus
2	B (D)	non-target DNA strand	polymer	43	13386.0	1		Staphylococcus aureus
3	C (A)	Ubiquitin-like protein SMT3,CRISPR-associated endonuclease Cas9	polymer	1170	137515.5	1	UniProt (Q12306) UniProt (J7RUA5)	Staphylococcus aureus	SaCas9
4	D (B)	sgRNA	polymer	99	31892.9	1		Staphylococcus aureus
5	E (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)

Sequence modifications

A: -104 - -9 (UniProt: Q12306)

PDB	External Database	Details
Met -116	-	initiating methionine
Gly -115	-	expression tag
His -114	-	expression tag
His -113	-	expression tag
His -112	-	expression tag
His -111	-	expression tag
His -110	-	expression tag
His -109	-	expression tag
Gly -108	-	expression tag
Ser -107	-	expression tag
Leu -106	-	expression tag
Gln -105	-	expression tag
Ala -30	Thr 77	conflict
Glu -8	-	linker
Asn -7	-	linker
Leu -6	-	linker
Tyr -5	-	linker
Phe -4	-	linker
Gln -3	-	linker
Gly -2	-	linker
Ser -1	-	linker
His 0	-	linker

A: 1 - 1053 (UniProt: J7RUA5)

PDB	External Database	Details
Ala 413	Asn 413	conflict
Ala 420	Arg 420	conflict
Lys 782	Glu 782	conflict
Arg 800	Leu 800	conflict
Lys 927	Thr 927	conflict
Asn 929	Lys 929	conflict
Arg 968	Asn 968	conflict
Ala 985	Asn 985	conflict
Ser 986	Asn 986	conflict
Ala 991	Arg 991	conflict
Phe 1017	Ile 1017	conflict
Ser 1021	Ala 1021	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	196149.4
Non-Polymers*	Number of molecules	1
	Total formula weight	24.3
All*	Total formula weight	196173.7

*Water molecules are not included.