1pyh

Crystal structure of RC-LH1 core complex from Rhodopseudomonas palustris

Method: X-RAY DIFFRACTION D_max: 123.6 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	1pyh
沉积日期 deposition_date	2003-07-08
结构标题 title	Crystal structure of RC-LH1 core complex from Rhodopseudomonas palustris
关键词 keywords	bacterial photosynthetic core complex, integral membrane proteins, light harvesting complex, reaction centre, 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	40.25 Å
回转半径 Rg (电子) rg_electron	39.81 Å
零角强度 I(0) i0	383054000.00
分子量 molecular_weight	141140.0 kDa
排除体积 excluded_volume	168270 Å³
包络体积 envelope_volume	339440 Å³
水化壳体积 shell_volume	70753 Å³
包络直径 envelope_diameter	125.5 Å
壳层 Rg shell_rg	46.17 Å
包络 Rg envelope_rg	38.24 Å
形状 Rg shape_rg	39.82 Å
总 Rg total_rg	40.21 Å
总原子数 total_atoms	10100
残基数 n_residues	1689
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	123.6 Å
Rg (实空间) rg_real	40.09 Å
Rg 误差 (实空间) rg_real_error	0.77 Å
I(0) (实空间) i0_real	3.8310e+08
I(0) 误差 (实空间) i0_real_error	5.7790e+06
Rg (倒空间) rg_reciprocal	40.25 Å
I(0) (倒空间) i0_reciprocal	383100000.0000
解质量估计 total_estimate	0.8619
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	50.7 Å
偏度 Skewness skewness	0.216
峰度 Kurtosis kurtosis	-0.373
角度范围 angular_range	— – 0.1950 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	110300000.0000
实空间数据点数 n_real_points	40
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.917; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.471

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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 (8)

Entity 1 polymer

描述 description	Reaction center protein L chain
分子量 formula_weight	23932.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	10100

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 2 polymer

描述 description	Reaction center protein M chain
分子量 formula_weight	25719.6 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

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

Entity 3 polymer

描述 description	Reaction center protein H chain
分子量 formula_weight	20528.2 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

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

Entity 4 polymer

描述 description	Light-harvesting protein B-800/850, alpha chain
分子量 formula_weight	2230.7 kDa
来源方法 src_method	nat
拷贝数 entity_count	16

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D,F,H,J,L,N,P,R,T,V,X,Z,1,3,5,7

XXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 5 polymer

描述 description	Light-harvesting protein B-800/850, beta chain
分子量 formula_weight	2571.2 kDa
来源方法 src_method	nat
拷贝数 entity_count	15

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	E,G,I,K,M,O,Q,S,U,W,Y,2,4,6,8

XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

Entity 6 non-polymer

描述 description	BACTERIOCHLOROPHYLL A
分子量 formula_weight	911.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	34

Entity 7 non-polymer

描述 description	BACTERIOPHEOPHYTIN A
分子量 formula_weight	889.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 8 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	1

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6. 折叠分类 (SCOP + CATH) 34 domains

SCOP 2.08 (34 domains)

结构域编号 domain_id	d1pyh1_
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	d1pyh2_
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	d1pyh3_
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	d1pyh4_
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	d1pyh5_
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	d1pyh6_
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	d1pyh7_
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	d1pyh8_
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	d1pyha_
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	d1pyhb_
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	d1pyhc_
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	d1pyhd_
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	d1pyhe_
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	d1pyhf_
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	d1pyhg_
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	d1pyhh_
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	d1pyhi_
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	d1pyhj_
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	d1pyhk_
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	d1pyhl_
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	d1pyhm_
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	d1pyhn_
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	d1pyho_
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	d1pyhp_
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	d1pyhq_
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	d1pyhr_
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	d1pyhs_
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	d1pyht_
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	d1pyhu_
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	d1pyhv_
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	d1pyhw_
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	d1pyhx_
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	d1pyhy_
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	d1pyhz_
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 (1)

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晶胞边长 a length_a	76.037 Å
晶胞边长 b length_b	119.024 Å
晶胞边长 c length_c	130.432 Å
晶胞夹角 α angle_alpha	69.32 °
晶胞夹角 β angle_beta	72.69 °
晶胞夹角 γ angle_gamma	66.52 °
晶胞分子数 Z z_pdb	16

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	—

分辨率 resolution	4.800 Å
最低分辨率 resolution_low	60.000 Å
R 因子 r_factor	0.4687
R_work r_work	0.4674
R_free r_free	0.4913

Crystal structure of RC-LH1 core complex from Rhodopseudomonas palustris

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

衍射实验 Diffraction

5. 实体与聚合体信息 (8)

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 non-polymer

Entity 7 non-polymer

Entity 8 non-polymer

6. 折叠分类 (SCOP + CATH) 34 domains

SCOP 2.08 (34 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/py/1pyh/1pyh.fit
pddf	/app/data/pr_computation/py/1pyh/1pyh.pr.out
profile	/app/data/saxs_computation/py/1pyh/1pyh.dat