SAXSdb — 1gmj

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1gmj
沉积日期 deposition_date	2001-09-14
结构标题 title	The structure of bovine IF1, the regulatory subunit of mitochondrial F-ATPase
关键词 keywords	ATPASE INHIBITOR, BOVINE F1-ATPASE INHIBITOR PROTEIN, COILED-COIL STRUCTURE, P DEPENDENT OLIGOMERIZATION, ATP HYDROLYSIS; ATPASE INHIBITOR
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	48.98 Å
回转半径 Rg (电子) rg_electron	52.65 Å
零角强度 I(0) i0	14480900.00
分子量 molecular_weight	28874.0 kDa
排除体积 excluded_volume	35876 Å³
包络体积 envelope_volume	63346 Å³
水化壳体积 shell_volume	14327 Å³
包络直径 envelope_diameter	218.2 Å
壳层 Rg shell_rg	34.17 Å
包络 Rg envelope_rg	57.62 Å
形状 Rg shape_rg	52.66 Å
总 Rg total_rg	51.34 Å
总原子数 total_atoms	2037
残基数 n_residues	240
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	222.3 Å
Rg (实空间) rg_real	51.55 Å
Rg 误差 (实空间) rg_real_error	5.32 Å
I(0) (实空间) i0_real	1.4480e+07
I(0) 误差 (实空间) i0_real_error	3.2720e+05
Rg (倒空间) rg_reciprocal	48.99 Å
I(0) (倒空间) i0_reciprocal	14430000.0000
解质量估计 total_estimate	0.6001
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	20.8 Å
偏度 Skewness skewness	0.826
峰度 Kurtosis kurtosis	0.116
角度范围 angular_range	— – 0.1600 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	798300.0000
实空间数据点数 n_real_points	33
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.000; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.001; Smooth: 0.795

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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 (1)

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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	d1gmja_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.4 — Antiparallel coiled-coil
超家族 Superfamily superfamily	h.4.8 — F1 ATPase inhibitor, IF1, C-terminal domain
家族 Family family	h.4.8.1 — F1 ATPase inhibitor, IF1, C-terminal domain

结构域编号 domain_id	d1gmjb_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.4 — Antiparallel coiled-coil
超家族 Superfamily superfamily	h.4.8 — F1 ATPase inhibitor, IF1, C-terminal domain
家族 Family family	h.4.8.1 — F1 ATPase inhibitor, IF1, C-terminal domain

结构域编号 domain_id	d1gmjc_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.4 — Antiparallel coiled-coil
超家族 Superfamily superfamily	h.4.8 — F1 ATPase inhibitor, IF1, C-terminal domain
家族 Family family	h.4.8.1 — F1 ATPase inhibitor, IF1, C-terminal domain

结构域编号 domain_id	d1gmjd_
类 Class class	h — Coiled coil proteins
折叠类型 Fold fold	h.4 — Antiparallel coiled-coil
超家族 Superfamily superfamily	h.4.8 — F1 ATPase inhibitor, IF1, C-terminal domain
家族 Family family	h.4.8.1 — F1 ATPase inhibitor, IF1, C-terminal domain

CATH v4.4 (4 domains)

结构域编号 domain_id	1gmjA00
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	500 — Single helix bin

结构域编号 domain_id	1gmjB00
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	500 — Single helix bin

结构域编号 domain_id	1gmjC00
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	500 — Single helix bin

结构域编号 domain_id	1gmjD00
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	500 — Single helix bin

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7. 引用文献 (3)

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晶胞边长 a length_a	32.010 Å
晶胞边长 b length_b	53.290 Å
晶胞边长 c length_c	156.940 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	95.89 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.200 Å
最低分辨率 resolution_low	26.000 Å
R 因子 r_factor	0.2580
R_work r_work	0.2580
R_free r_free	0.2800

描述 description	ATPASE INHIBITOR
分子量 formula_weight	9595.6 kDa
突变 mutation	YES
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	2037

The structure of bovine IF1, the regulatory subunit of mitochondrial F-ATPase

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 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. 引用文献 (3)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	BOS TAURUS
通用名 common_name	BOVINE
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	ESCHERICHIA COLI BL21(DE3)

fit	/app/data/saxs_computation/gm/1gmj/1gmj.fit
pddf	/app/data/pr_computation/gm/1gmj/1gmj.pr.out
profile	/app/data/saxs_computation/gm/1gmj/1gmj.dat