2B2B

Structural distortions in psoralen cross-linked DNA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3'	polymer	10	3046.0	2
2	C (A)	SPERMINE	non-polymer		202.3	1	Chemie (SPM)
3	D, F, I (A, B)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
4	E, H (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	G (A)	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	non-polymer		258.3	1	Chemie (PSO)
6	J, K (A, B)	water	water		18.0	194	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	6092.0
Non-Polymers*	Number of molecules	7
	Total formula weight	609.7
All*	Total formula weight	6701.7

*Water molecules are not included.