9Z1B

Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence CCGCGCAGGC, crystal soaked in alternate solvent prior to diffraction

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA (31-MER)	polymer	31	9459.1	1		Escherichia coli
2	B (B)	DNA (31-MER)	polymer	31	9610.2	1		Escherichia coli
3	C (C)	Replication initiation protein	polymer	263	30749.1	1	UniProt (P03856)	Escherichia coli	Protein E,Protein rep,Protein F4, Replication Initiator protein RepE54
4	D, H (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	E, I, N (A, B, C)	POTASSIUM ION	non-polymer		39.1	3	Chemie (K)
6	F, G, J, K, L... (A, B, C)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)

Sequence modifications

C: 1 - 251 (UniProt: P03856)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Pro 118	Arg 118	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	49818.3
Non-Polymers*	Number of molecules	11
	Total formula weight	343.3
All*	Total formula weight	50161.6

*Water molecules are not included.