SAXSdb — 1hfo

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1hfo
沉积日期 deposition_date	2000-12-07
结构标题 title	The Structure of the Macrophage Migration Inhibitory Factor from Trichinella Spiralis.
关键词 keywords	TAUTOMERASE; TAUTOMERASE
实验方法 method	X-RAY DIFFRACTION

▼

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

回转半径 Rg (Guinier) rg_guinier	38.52 Å
回转半径 Rg (电子) rg_electron	38.40 Å
零角强度 I(0) i0	81027600.00
分子量 molecular_weight	72696.0 kDa
排除体积 excluded_volume	90627 Å³
包络体积 envelope_volume	116740 Å³
水化壳体积 shell_volume	24888 Å³
包络直径 envelope_diameter	118.2 Å
壳层 Rg shell_rg	45.37 Å
包络 Rg envelope_rg	37.17 Å
形状 Rg shape_rg	38.39 Å
总 Rg total_rg	38.85 Å
总原子数 total_atoms	5134
残基数 n_residues	678
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

▼

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

最大尺寸 Dmax dmax	110.7 Å
Rg (实空间) rg_real	38.93 Å
Rg 误差 (实空间) rg_real_error	1.01 Å
I(0) (实空间) i0_real	8.1030e+07
I(0) 误差 (实空间) i0_real_error	1.3310e+06
Rg (倒空间) rg_reciprocal	38.69 Å
I(0) (倒空间) i0_reciprocal	81010000.0000
解质量估计 total_estimate	0.6190
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	27.0 Å
偏度 Skewness skewness	0.265
峰度 Kurtosis kurtosis	-1.191
角度范围 angular_range	— – 0.2050 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	43220000.0000
实空间数据点数 n_real_points	42
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.216; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.392; Smooth: 0.002

▶

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

▶

5. 实体与聚合体信息 (2)

▼

6. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

结构域编号 domain_id	d1hfoa_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.80 — Tautomerase/MIF
超家族 Superfamily superfamily	d.80.1 — Tautomerase/MIF
家族 Family family	d.80.1.3 — MIF-related

结构域编号 domain_id	d1hfob_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.80 — Tautomerase/MIF
超家族 Superfamily superfamily	d.80.1 — Tautomerase/MIF
家族 Family family	d.80.1.3 — MIF-related

结构域编号 domain_id	d1hfoc_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.80 — Tautomerase/MIF
超家族 Superfamily superfamily	d.80.1 — Tautomerase/MIF
家族 Family family	d.80.1.3 — MIF-related

结构域编号 domain_id	d1hfod_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.80 — Tautomerase/MIF
超家族 Superfamily superfamily	d.80.1 — Tautomerase/MIF
家族 Family family	d.80.1.3 — MIF-related

结构域编号 domain_id	d1hfoe_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.80 — Tautomerase/MIF
超家族 Superfamily superfamily	d.80.1 — Tautomerase/MIF
家族 Family family	d.80.1.3 — MIF-related

结构域编号 domain_id	d1hfof_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.80 — Tautomerase/MIF
超家族 Superfamily superfamily	d.80.1 — Tautomerase/MIF
家族 Family family	d.80.1.3 — MIF-related

CATH v4.4 (6 domains)

结构域编号 domain_id	1hfoA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	429 — Macrophage Migration Inhibitory Factor
同源超家族 H-superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

结构域编号 domain_id	1hfoB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	429 — Macrophage Migration Inhibitory Factor
同源超家族 H-superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

结构域编号 domain_id	1hfoC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	429 — Macrophage Migration Inhibitory Factor
同源超家族 H-superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

结构域编号 domain_id	1hfoD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	429 — Macrophage Migration Inhibitory Factor
同源超家族 H-superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

结构域编号 domain_id	1hfoE00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	429 — Macrophage Migration Inhibitory Factor
同源超家族 H-superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

结构域编号 domain_id	1hfoF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	429 — Macrophage Migration Inhibitory Factor
同源超家族 H-superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	110.128 Å
晶胞边长 b length_b	88.344 Å
晶胞边长 c length_c	86.355 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	131.13 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	24

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	1.650 Å
最低分辨率 resolution_low	28.330 Å
R 因子 r_factor	0.2250
R_work r_work	0.2250
R_free r_free	0.2810

描述 description	MIGRATION INHIBITORY FACTOR
分子量 formula_weight	12176.6 kDa
来源方法 src_method	man
拷贝数 entity_count	6

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F
原子数 atom_count	6166

The Structure of the Macrophage Migration Inhibitory Factor from Trichinella Spiralis.

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) 12 domains

SCOP 2.08 (6 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	TRICHINELLA SPIRALIS
通用名 common_name	TRICHINA
NCBI 分类编号 ncbi_taxonomy_id	6334
宿主生物 host_organism	ESCHERICHIA COLI

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	1032

fit	/app/data/saxs_computation/hf/1hfo/1hfo.fit
pddf	/app/data/pr_computation/hf/1hfo/1hfo.pr.out
profile	/app/data/saxs_computation/hf/1hfo/1hfo.dat