6AI6

Crystal structure of SpCas9-NG

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CRISPR-associated endonuclease Cas9/Csn1	polymer	1372	159226.5	1	UniProt (Q99ZW2) Pfam (PF16593) Pfam (PF16592) Pfam (PF13395) Pfam (PF22702) Pfam (PF16595) In PDB	Streptococcus pyogenes serotype M1	SpCas9,SpyCas9
2	B	RNA (81-MER)	polymer	81	26209.6	1		Streptococcus pyogenes
3	C	DNA (28-MER)	polymer	28	8463.5	1		Streptococcus pyogenes
4	D	DNA (8-MER)	polymer	8	2472.6	1		Streptococcus pyogenes
5	A, B	POTASSIUM ION	non-polymer		39.1	10	Chemie (K)
6	A, B	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
7	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
8		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: 1 - 1368 (UniProt: Q99ZW2)

PDB	External Database	Details
Gly -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ala 863	Asn 863	engineered mutation
Arg 1111	Leu 1111	engineered mutation
Val 1135	Asp 1135	engineered mutation
Arg 1218	Gly 1218	engineered mutation
Phe 1219	Glu 1219	engineered mutation
Arg 1322	Ala 1322	engineered mutation
Val 1335	Arg 1335	engineered mutation
Arg 1337	Thr 1337	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	196372.2
Non-Polymers*	Number of molecules	16
	Total formula weight	650.1
All*	Total formula weight	197022.3

*Water molecules are not included.