9R51

Dimeric state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus in crystalline form 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, G, J (A, D, G, J)	F420-reducing [NiFe]-hydrogenase from Methanothermococcus thermolithotrophicus subunit alpha	polymer	410	45839.5	4		Methanothermococcus thermolithotrophicus DSM 2095
2	B, F, I, L (B, F, I, L)	F420-reducing [NiFe]-hydrogenase from Methanothermococcus thermolithotrophicus subunit beta	polymer	282	31091.1	4		Methanothermococcus thermolithotrophicus DSM 2095
3	C, E, H, K (C, E, H, K)	F420-reducing [NiFe]-hydrogenase from Methanothermococcus thermolithotrophicus subunit gamma	polymer	241	26070.5	4		Methanothermococcus thermolithotrophicus DSM 2095
4	DC, JA, JB, M (J, D, G, A)	formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)	non-polymer		195.6	4	Chemie (NFU)
5	N, Z (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	EC, FB, FC, GB, KA... (J, F, D, G, A...)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
7	AA, AB, AC, BA, BB... (B, E, I, C, F...)	GLYCEROL	non-polymer		92.1	46	Chemie (GOL)
8	MC, QB, TA, W (J, G, D, A)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
9	CA, DA, DB, EA, NC... (C, F, K, H, L...)	IRON/SULFUR CLUSTER	non-polymer		351.6	16	Chemie (SF4)
10	EB, UC, Y, ZB (F, L, B, I)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	4	Chemie (FAD)
11	UA (D)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
12	GC, LB (J, G)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
13	AD, BD, CD, DD, ED... (D, E, F, G, H...)	water	water		18.0	1888	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	412004.3
Non-Polymers*	Number of molecules	89
	Total formula weight	15529.2
All*	Total formula weight	427533.5

*Water molecules are not included.