8RJP

Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I2 intermediate state.

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)	histidine kinase	polymer	515	57507.5	2	UniProt (A9CI81) Pfam (PF08446) Pfam (PF01590) Pfam (PF00360)	Agrobacterium fabrum str. C58
2	C, J (A, B)	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid	non-polymer		584.7	2	Chemie (EL5)
3	D, E, F, K, L... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	G (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
5	H, N (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	I (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	O, P (A, B)	water	water		18.0	223	Chemie (HOH)

Sequence modifications

A, B: 1 - 502 (UniProt: A9CI81)

PDB	External Database	Details
Arg 69	Lys 69	engineered mutation
Lys 83	Arg 83	engineered mutation
Asp 120	Gly 120	engineered mutation
Thr 123	Ala 123	engineered mutation
Leu 163	Met 163	engineered mutation
Glu 168	Gln 168	engineered mutation
Pro 220	Arg 220	engineered mutation
Asn 243	Ser 243	engineered mutation
Phe 244	Val 244	engineered mutation
Asp 269	Gly 269	engineered mutation
Val 276	Ala 276	engineered mutation
Cys 280	Tyr 280	engineered mutation
Ala 294	Glu 294	engineered mutation
Phe 303	His 303	engineered mutation
Arg 333	His 333	engineered mutation
Leu 336	Ile 336	engineered mutation
Arg 349	Asp 349	engineered mutation
Ile 351	Met 351	engineered mutation
Val 386	Ala 386	engineered mutation
Asp 409	Gly 409	engineered mutation
Ile 419	Leu 419	engineered mutation
Ser 469	Thr 469	engineered mutation
Thr 487	Ala 487	engineered mutation
Gly 494	Glu 494	engineered mutation
Met 503	-	insertion
Ala 504	-	insertion
Gly 505	-	insertion
Leu 506	-	insertion
Glu 507	-	insertion
Tyr 508	-	insertion
Lys 509	-	insertion
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	115015.0
Non-Polymers*	Number of molecules	12
	Total formula weight	2143.6
All*	Total formula weight	117158.5

*Water molecules are not included.