2d3e

Crystal structure of the C-Terminal fragment of rabbit skeletal alpha-tropomyosin

Method: X-RAY DIFFRACTION D_max: 284.7 Å Quality: REASONABLE

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	2d3e
沉积日期 deposition_date	2005-09-27
结构标题 title	Crystal structure of the C-Terminal fragment of rabbit skeletal alpha-tropomyosin
关键词 keywords	COILED COIL, ALANINE CLUSTER, BENDABLE REGION, CONTRACTILE PROTEIN; CONTRACTILE PROTEIN
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	94.94 Å
回转半径 Rg (电子) rg_electron	102.00 Å
零角强度 I(0) i0	53350400.00
分子量 molecular_weight	58932.0 kDa
排除体积 excluded_volume	73536 Å³
包络体积 envelope_volume	134900 Å³
水化壳体积 shell_volume	19021 Å³
包络直径 envelope_diameter	359.1 Å
壳层 Rg shell_rg	37.06 Å
包络 Rg envelope_rg	107.20 Å
形状 Rg shape_rg	102.00 Å
总 Rg total_rg	100.10 Å
总原子数 total_atoms	4142
残基数 n_residues	520
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	284.7 Å
Rg (实空间) rg_real	92.57 Å
Rg 误差 (实空间) rg_real_error	3.00 Å
I(0) (实空间) i0_real	5.2340e+07
I(0) 误差 (实空间) i0_real_error	1.2510e+06
Rg (倒空间) rg_reciprocal	81.24 Å
I(0) (倒空间) i0_reciprocal	51210000.0000
解质量估计 total_estimate	0.6157
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	4
主峰位置 r_peak_primary	17.8 Å
偏度 Skewness skewness	0.492
峰度 Kurtosis kurtosis	-0.785
角度范围 angular_range	— – 0.0800 Å⁻¹
当前正则化参数 α current_alpha	0.0291
最高正则化参数 α highest_alpha	8471000.0000
实空间数据点数 n_real_points	17
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.003; Oscil: 0.001; Stabil: 0.976; Sysdev: 1.000; Positv: 1.000; Valcen: 0.045; Smooth: 0.751

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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 (2)

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6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d2d3ea1
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.5 — Tropomyosin
家族 Family family	h.1.5.1 — Tropomyosin

结构域编号 domain_id	d2d3eb_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.5 — Tropomyosin
家族 Family family	h.1.5.1 — Tropomyosin

结构域编号 domain_id	d2d3ec_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.5 — Tropomyosin
家族 Family family	h.1.5.1 — Tropomyosin

结构域编号 domain_id	d2d3ed_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.1 — Parallel coiled-coil
超家族 Superfamily superfamily	h.1.5 — Tropomyosin
家族 Family family	h.1.5.1 — Tropomyosin

CATH v4.4 (4 domains)

结构域编号 domain_id	2d3eA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

结构域编号 domain_id	2d3eB00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

结构域编号 domain_id	2d3eC00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

结构域编号 domain_id	2d3eD00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	170 —

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7. 引用文献 (1)

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晶胞边长 a length_a	39.080 Å
晶胞边长 b length_b	46.860 Å
晶胞边长 c length_c	95.260 Å
晶胞夹角 α angle_alpha	101.49 °
晶胞夹角 β angle_beta	101.66 °
晶胞夹角 γ angle_gamma	90.13 °
晶胞分子数 Z z_pdb	4

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

分辨率 resolution	2.600 Å
最低分辨率 resolution_low	45.670 Å
R 因子 r_factor	0.2540
R_work r_work	0.2490
R_free r_free	0.3090

描述 description	General control protein GCN4 and Tropomyosin 1 alpha chain
分子量 formula_weight	15651.5 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	4288

Crystal structure of the C-Terminal fragment of rabbit skeletal alpha-tropomyosin

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 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 water

6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Oryctolagus cuniculus
通用名 common_name	;baker's yeast, rabbit ;
NCBI 分类编号 ncbi_taxonomy_id	9986
宿主生物 host_organism	Escherichia coli BL21(DE3)

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	146

fit	/app/data/saxs_computation/d3/2d3e/2d3e.fit
pddf	/app/data/pr_computation/d3/2d3e/2d3e.pr.out
profile	/app/data/saxs_computation/d3/2d3e/2d3e.dat