1ilx

Excited State Dynamics in Photosystem II Revised. New Insights from the X-ray Structure.

Method: X-RAY DIFFRACTION D_max: 208.9 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1ilx
沉积日期 deposition_date	2001-05-09
结构标题 title	Excited State Dynamics in Photosystem II Revised. New Insights from the X-ray Structure.
关键词 keywords	antenna chlorophyll, exitation transfer, PHOTOSYNTHESIS; PHOTOSYNTHESIS
实验方法 method	X-RAY DIFFRACTION

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2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	58.49 Å
回转半径 Rg (电子) rg_electron	58.84 Å
零角强度 I(0) i0	1267080000.00
分子量 molecular_weight	300560.0 kDa
排除体积 excluded_volume	578450 Å³
包络体积 envelope_volume	508810 Å³
水化壳体积 shell_volume	77244 Å³
包络直径 envelope_diameter	203.4 Å
壳层 Rg shell_rg	55.38 Å
包络 Rg envelope_rg	55.79 Å
形状 Rg shape_rg	56.22 Å
总 Rg total_rg	59.55 Å
总原子数 total_atoms	2118
残基数 n_residues	—
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	208.9 Å
Rg (实空间) rg_real	58.81 Å
Rg 误差 (实空间) rg_real_error	1.90 Å
I(0) (实空间) i0_real	1.2670e+09
I(0) 误差 (实空间) i0_real_error	2.7360e+07
Rg (倒空间) rg_reciprocal	58.30 Å
I(0) (倒空间) i0_reciprocal	1266000000.0000
解质量估计 total_estimate	0.8547
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	61.9 Å
偏度 Skewness skewness	0.436
峰度 Kurtosis kurtosis	-0.344
角度范围 angular_range	— – 0.1350 Å⁻¹
当前正则化参数 α current_alpha	0.0089
最高正则化参数 α highest_alpha	182700000.0000
实空间数据点数 n_real_points	28
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.001; Oscil: 0.774; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.842

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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合体信息 (16)

Entity 1 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBA
分子量 formula_weight	14400.7 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,J
原子数 atom_count	4594

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 2 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBD
分子量 formula_weight	14826.3 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,K

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 3 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBC
分子量 formula_weight	13294.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C,L

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 4 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBB
分子量 formula_weight	13209.3 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D,M

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 5 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBE
分子量 formula_weight	3422.2 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	E,N

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 6 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBF
分子量 formula_weight	2571.2 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	F,O

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 7 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT UNKNOWN
分子量 formula_weight	26570.6 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	G,P

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 8 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBO
分子量 formula_weight	9805.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	H,Q

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 9 polymer

描述 description	PHOTOSYSTEM II: SUBUNIT PSBV
分子量 formula_weight	7422.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	I,R

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 10 non-polymer

描述 description	MANGANESE (II) ION
分子量 formula_weight	54.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

Entity 11 non-polymer

描述 description	CHLOROPHYLL A
分子量 formula_weight	893.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	70

Entity 12 non-polymer

描述 description	PHEOPHYTIN A
分子量 formula_weight	871.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 13 non-polymer

描述 description	FE (III) ION
分子量 formula_weight	55.8 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 14 non-polymer

描述 description	;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 ;
分子量 formula_weight	749.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 15 non-polymer

描述 description	PROTOPORPHYRIN IX CONTAINING FE
分子量 formula_weight	616.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 16 non-polymer

描述 description	CADMIUM ION
分子量 formula_weight	112.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (18 domains)

结构域编号 domain_id	d1ilxa_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxb_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxc_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxd_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxe_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxf_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxg_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxh_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxi_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxj_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxk_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxl_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxm_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxn_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxo_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxp_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxq_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

结构域编号 domain_id	d1ilxr_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.5 — Photosystems
超家族 Superfamily superfamily	i.5.1 — Photosystems
家族 Family family	i.5.1.1 — Photosystems

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7. 引用文献 (2)

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晶胞边长 a length_a	130.010 Å
晶胞边长 b length_b	226.720 Å
晶胞边长 c length_c	308.290 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	3.800 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

fit	/app/data/saxs_computation/il/1ilx/1ilx.fit
pddf	/app/data/pr_computation/il/1ilx/1ilx.pr.out
profile	/app/data/saxs_computation/il/1ilx/1ilx.dat

Excited State Dynamics in Photosystem II Revised. New Insights from the X-ray Structure.

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

1. 结构基本信息 1. Structure Basics

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

5. 实体与聚合体信息 (16)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

Entity 4 polymer

聚合体 Polymer

Entity 5 polymer

聚合体 Polymer

Entity 6 polymer

聚合体 Polymer

Entity 7 polymer

聚合体 Polymer

Entity 8 polymer

聚合体 Polymer

Entity 9 polymer

聚合体 Polymer

Entity 10 non-polymer

Entity 11 non-polymer

Entity 12 non-polymer

Entity 13 non-polymer

Entity 14 non-polymer

Entity 15 non-polymer

Entity 16 non-polymer

6. 折叠分类 (SCOP + CATH) 18 domains

SCOP 2.08 (18 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)