5E79

Macromolecular diffractive imaging using imperfect crystals

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, T (A, a)	Photosystem II protein D1 1	polymer	334	37029.2	2	UniProt (P0A444) Pfam (PF00124)	Thermosynechococcus elongatus (strain BP-1)	PSII D1 protein 1,Photosystem II Q(B) protein 1
2	B, U (B, b)	Photosystem II CP47 reaction center protein	polymer	504	55939.6	2	UniProt (Q8DIQ1) Pfam (PF00421)	Thermosynechococcus elongatus (strain BP-1)	PSII 47 kDa protein,Protein CP-47
3	C, V (C, c)	Photosystem II CP43 reaction center protein	polymer	451	49207.3	2	UniProt (Q8DIF8) Pfam (PF00421)	Thermosynechococcus elongatus (strain BP-1)	PSII 43 kDa protein,Protein CP-43
4	D, W (D, d)	Photosystem II D2 protein	polymer	342	38404.9	2	UniProt (Q8CM25) Pfam (PF00124)	Thermosynechococcus elongatus (strain BP-1)	PSII D2 protein,Photosystem II Q(A) protein
5	E, X (E, e)	Cytochrome b559 subunit alpha	polymer	81	9321.5	2	UniProt (Q8DIP0) Pfam (PF00283) Pfam (PF00284)	Thermosynechococcus elongatus (strain BP-1)	PSII reaction center subunit V
6	F, Y (F, f)	Cytochrome b559 subunit beta	polymer	34	3868.6	2	UniProt (Q8DIN9) Pfam (PF00283)	Thermosynechococcus elongatus (strain BP-1)	PSII reaction center subunit VI
7	G, Z (H, h)	Photosystem II reaction center protein H	polymer	65	7227.6	2	UniProt (Q8DJ43) Pfam (PF00737)	Thermosynechococcus elongatus (strain BP-1)	PSII-H
8	AA, H (I, i)	Photosystem II reaction center protein I	polymer	38	4410.2	2	UniProt (Q8DJZ6) Pfam (PF02532)	Thermosynechococcus elongatus (strain BP-1)	PSII-I,PSII 4.4 kDa protein
9	BA, I (J, j)	Photosystem II reaction center protein J	polymer	38	3843.5	2	UniProt (P59087) Pfam (PF01788)	Thermosynechococcus elongatus (strain BP-1)	PSII-J
10	CA, J (K, k)	Photosystem II reaction center protein K	polymer	37	4101.9	2	UniProt (Q9F1K9) Pfam (PF02533)	Thermosynechococcus elongatus (strain BP-1)	PSII-K
11	DA, K (L, l)	Photosystem II reaction center protein L	polymer	37	4299.0	2	UniProt (Q8DIN8) Pfam (PF02419)	Thermosynechococcus elongatus (strain BP-1)	PSII-L
12	EA, L (M, m)	Photosystem II reaction center protein M	polymer	34	3807.5	2	UniProt (Q8DHA7) Pfam (PF05151)	Thermosynechococcus elongatus (strain BP-1)	PSII-M
13	FA, M (O, o)	Photosystem II manganese-stabilizing polypeptide	polymer	243	26523.6	2	UniProt (P0A431) Pfam (PF01716)	Thermosynechococcus elongatus (strain BP-1)	MSP
14	GA, N (T, t)	Photosystem II reaction center protein T	polymer	30	3620.4	2	UniProt (Q8DIQ0) Pfam (PF01405)	Thermosynechococcus elongatus (strain BP-1)	PSII-Tc
15	HA, O (U, u)	Photosystem II 12 kDa extrinsic protein	polymer	97	10966.3	2	UniProt (Q9F1L5) Pfam (PF06514)	Thermosynechococcus elongatus (strain BP-1)	PS II complex 12 kDa extrinsic protein,PSII-U
16	IA, P (V, v)	Cytochrome c-550	polymer	137	15148.3	2	UniProt (P0A386) Pfam (PF14495)	Thermosynechococcus elongatus (strain BP-1)	Cytochrome c-549,Cytochrome c550,Low-potential cytochrome c
17	JA, Q (Y, y)	Photosystem II reaction center protein Ycf12	polymer	29	3098.9	2	UniProt (Q8DJI1) Pfam (PF05969)	Thermosynechococcus elongatus (strain BP-1)
18	KA, R (X, x)	Photosystem II reaction center X protein	polymer	39	4077.9	2	UniProt (Q9F1R6) Pfam (PF06596)	Thermosynechococcus elongatus (strain BP-1)
19	LA, S (Z, z)	Photosystem II reaction center protein Z	polymer	62	6766.2	2	UniProt (Q8DHJ2) Pfam (PF01737)	Thermosynechococcus elongatus (strain BP-1)	PSII-Z
20	MA, RD (A, a)	CA-MN4-O5 CLUSTER	non-polymer		339.8	2	Chemie (OEX)
21	NA, SD (A, a)	FE (II) ION	non-polymer		55.8	2	Chemie (FE2)
22	ND, OA, PA, SG, TD... (U, A, u, a)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
23	QA, VD (A, a)	BICARBONATE ION	non-polymer		61.0	2	Chemie (BCT)
24	AC, AG, BC, CB, CC... (C, d, B, c, a...)	CHLOROPHYLL A	non-polymer		893.5	70	Chemie (CLA)
25	QC, TA, YD, YF (D, A, a, d)	PHEOPHYTIN A	non-polymer		871.2	4	Chemie (PHO)
26	AE, AF, BD, BF, DD... (a, b, F, H, I...)	BETA-CAROTENE	non-polymer		536.9	22	Chemie (BCR)
27	BE, BG, UC, WA (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)
28	CE, EE, HE, KD, OG... (a, b, L, l, X...)	1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL	non-polymer		795.1	10	Chemie (SQD)
29	CF, DE, LG, OC, PC... (b, a, j, C, Z...)	1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE	non-polymer		787.2	12	Chemie (LMG)
30	AB, DG, EG, FG, GE... (A, d, e, a, L...)	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE	non-polymer		723.0	10	Chemie (LHG)
31	BB, CD, IE, IG, LD... (B, F, b, f, O...)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
32	CG, ED, KG, LC, MC... (d, H, h, C, c...)	DIGALACTOSYL DIACYL GLYCEROL (DGDG)	non-polymer		949.3	10	Chemie (DGD)
33	AD, GG, OD, TG (E, e, V, v)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
34	GD, MG (J, j)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)

Sequence modifications

A, a: 11 - 344 (UniProt: P0A444)

PDB	External Database	Details
Ala 286	Thr 286	conflict

Contents of the asymmetric unit

Polymers	Number of chains	38
	Total formula weight	583324.8
Non-Polymers*	Number of molecules	166
	Total formula weight	118837.9
All*	Total formula weight	702162.7

*Water molecules are not included.