5FW3

Crystal structure of SpCas9 variant VRER bound to sgRNA and TGCG PAM target DNA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	SGRNA	polymer	83	26789.0	1		SYNTHETIC CONSTRUCT
2	B	CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1	polymer	1372	158987.2	1	UniProt (Q99ZW2) Pfam (PF16593) Pfam (PF16592) Pfam (PF13395) Pfam (PF22702) Pfam (PF16595) In PDB	STREPTOCOCCUS PYOGENES	CAS9 VRER VARIANT, SPCAS9
3	C	TARGET DNA STRAND	polymer	28	8553.6	1		SYNTHETIC CONSTRUCT
4	D	NON-TARGET DNA STRAND	polymer	12	3710.5	1		SYNTHETIC CONSTRUCT
5	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	A, B	POTASSIUM ION	non-polymer		39.1	11	Chemie (K)
7		water	water		18.0	152	Chemie (HOH)

Sequence modifications

B: 1 - 1368 (UniProt: Q99ZW2)

PDB	External Database	Details
Gly -3	-	expression tag
Ala -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Ala 10	Asp 10	engineered mutation
Ala 840	His 840	engineered mutation
Val 1135	Asp 1135	engineered mutation
Arg 1218	Gly 1218	engineered mutation
Glu 1335	Arg 1335	engineered mutation
Arg 1337	Thr 1337	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	198040.2
Non-Polymers*	Number of molecules	13
	Total formula weight	478.7
All*	Total formula weight	198518.9

*Water molecules are not included.