9Z35

RT XFEL structure of two-flash state of Photosystem II (2F, S3 rich) at 1.93 Angstrom obtained from anomalous data at 9.5 keV

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, U (A, a)	Photosystem II protein D1 1	polymer	344	38265.6	2	UniProt (P0A444)	Thermosynechococcus vestitus BP-1	PSII D1 protein 1,Photosystem II Q(B) protein 1
2	B, V (B, b)	Photosystem II CP47 reaction center protein	polymer	510	56656.5	2	UniProt (Q8DIQ1)	Thermosynechococcus vestitus BP-1	PSII 47 kDa protein,Protein CP-47
3	C, W (C, c)	Photosystem II CP43 reaction center protein	polymer	461	50287.5	2	UniProt (Q8DIF8)	Thermosynechococcus vestitus BP-1	PSII 43 kDa protein,Protein CP-43
4	D, X (D, d)	Photosystem II D2 protein	polymer	352	39388.2	2	UniProt (Q8CM25)	Thermosynechococcus vestitus BP-1	PSII D2 protein,Photosystem II Q(A) protein
5	E, Y (E, e)	Cytochrome b559 subunit alpha	polymer	84	9580.8	2	UniProt (Q8DIP0)	Thermosynechococcus vestitus BP-1	PSII reaction center subunit V
6	F, Z (F, f)	Cytochrome b559 subunit beta	polymer	45	5067.9	2	UniProt (Q8DIN9)	Thermosynechococcus vestitus BP-1	PSII reaction center subunit VI
7	AA, G (H, h)	Photosystem II reaction center protein H	polymer	66	7314.7	2	UniProt (Q8DJ43)	Thermosynechococcus vestitus BP-1	PSII-H
8	BA, H (I, i)	Photosystem II reaction center protein I	polymer	38	4438.3	2	UniProt (Q8DJZ6)	Thermosynechococcus vestitus BP-1	PSII-I,PSII 4.4 kDa protein
9	CA, I (J, j)	Photosystem II reaction center protein J	polymer	40	4105.9	2	UniProt (P59087)	Thermosynechococcus vestitus BP-1	PSII-J
10	DA, J (K, k)	Photosystem II reaction center protein K	polymer	46	5028.1	2	UniProt (Q9F1K9)	Thermosynechococcus vestitus BP-1	PSII-K
11	EA, K (L, l)	Photosystem II reaction center protein L	polymer	37	4299.0	2	UniProt (Q8DIN8)	Thermosynechococcus vestitus BP-1	PSII-L
12	FA, L (M, m)	Photosystem II reaction center protein M	polymer	36	4009.7	2	UniProt (Q8DHA7)	Thermosynechococcus vestitus BP-1	PSII-M
13	GA, M (O, o)	Photosystem II manganese-stabilizing polypeptide	polymer	272	29637.4	2	UniProt (P0A431)	Thermosynechococcus vestitus BP-1	MSP
14	HA, N (T, t)	Photosystem II reaction center protein T	polymer	32	3906.7	2	UniProt (Q8DIQ0)	Thermosynechococcus vestitus BP-1	PSII-T,PSII-Tc
15	IA, O (U, u)	Photosystem II 12 kDa extrinsic protein	polymer	134	15031.0	2	UniProt (Q9F1L5)	Thermosynechococcus vestitus BP-1	PS II complex 12 kDa extrinsic protein,PSII-U
16	JA, P (V, v)	Cytochrome c-550	polymer	163	18046.9	2	UniProt (P0A386)	Thermosynechococcus vestitus BP-1	Cytochrome c-549,Cytochrome c550,Low-potential cytochrome c
17	KA, Q (Y, y)	Photosystem II reaction center protein Ycf12	polymer	46	5039.1	2	UniProt (Q8DJI1)	Thermosynechococcus vestitus BP-1
18	LA, R (X, x)	Photosystem II reaction center X protein	polymer	41	4322.2	2	UniProt (Q9F1R6)	Thermosynechococcus vestitus BP-1
19	MA, S (Z, z)	Photosystem II reaction center protein Z	polymer	62	6766.2	2	UniProt (Q8DHJ2)	Thermosynechococcus vestitus BP-1	PSII-Z
20	NA, T (R, r)	Photosystem II protein Y	polymer	41	4590.6	2	UniProt (Q8DKM3)	Thermosynechococcus vestitus BP-1
21	OA, SE (A, a)	CA-MN4-O6 CLUSTER	non-polymer		355.8	2	Chemie (OEY)
22	PA, TE (A, a)	CA-MN4-O5 CLUSTER	non-polymer		339.8	2	Chemie (OEX)
23	QA, UE (A, a)	FE (II) ION	non-polymer		55.8	2	Chemie (FE2) PubChem (27284)
24	RA, SA, VE, WE (A, a)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL) PubChem (312)
25	TA, XE (A, a)	BICARBONATE ION	non-polymer		61.0	2	Chemie (BCT) PubChem (769)
26	AG, BB, BF, BG, EF... (b, A, a, C, B...)	CHLOROPHYLL A	non-polymer		893.5	70	Chemie (CLA)
27	AF, IH, KD, WA (a, d, D, A)	PHEOPHYTIN A	non-polymer		871.2	4	Chemie (PHO)
28	AC, BD, CE, CF, CG... (B, C, H, a, b...)	BETA-CAROTENE	non-polymer		536.9	22	Chemie (BCR) PubChem (5280489) PubChem (86765360) PubChem (173398668)
29	DF, MH, OD, ZA (a, d, D, A)	2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE	non-polymer		749.2	4	Chemie (PL9)
30	AB, AD, AH, BH, BI... (A, C, c, h, B...)	STEARIC ACID	non-polymer		284.5	55	Chemie (STE) PubChem (5281)
31	BE, CB, DB, EC, FF... (F, A, B, a, b...)	1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL	non-polymer		795.1	8	Chemie (SQD) PubChem (25147486)
32	AI, DD, DE, DH, EB... (h, C, H, c, A)	DIGALACTOSYL DIACYL GLYCEROL (DGDG)	non-polymer		949.3	9	Chemie (DGD) PubChem (15991538)
33	BC, CD, CH, GD, GH... (B, C, c, b, a...)	1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE	non-polymer		787.2	15	Chemie (LMG) PubChem (446441)
34	DC, GF, JI, OH, PH... (B, a, l, d, D...)	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE	non-polymer		723.0	10	Chemie (LHG)
35	AE, VH (F, e)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
36	QE, QI (V, v)	HEME C	non-polymer		620.5	2	Chemie (HEC)
37	AJ, AK, BJ, BK, CJ... (I, t, J, u, K...)	water	water		18.0	2743	Chemie (HOH)

Sequence modifications

H, h: 1 - 66 (UniProt: Q8DJ43)

PDB	External Database	Details
Cys 41	Phe 41	conflict

Contents of the asymmetric unit

Polymers	Number of chains	40
	Total formula weight	631565.0
Non-Polymers*	Number of molecules	213
	Total formula weight	134665.8
All*	Total formula weight	766230.8

*Water molecules are not included.