1w45

The 2.5 Angstroem structure of the K16A mutant of annexin A8, which has an intact N-terminus.

Method: X-RAY DIFFRACTION D_max: 104.6 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	1w45
沉积日期 deposition_date	2004-07-22
结构标题 title	The 2.5 Angstroem structure of the K16A mutant of annexin A8, which has an intact N-terminus.
关键词 keywords	COAGULATION, ANNEXIN FAMILY, CALCIUM AND PHOSPHOLIPID BINDING PROTEINS, INTACT N-TERMINUS, CXALCIUM AND MEMBRANE- BINDING PROTEIN; COAGULATION
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	34.05 Å
回转半径 Rg (电子) rg_electron	33.41 Å
零角强度 I(0) i0	82205200.00
分子量 molecular_weight	71706.0 kDa
排除体积 excluded_volume	89609 Å³
包络体积 envelope_volume	122580 Å³
水化壳体积 shell_volume	30634 Å³
包络直径 envelope_diameter	107.9 Å
壳层 Rg shell_rg	40.54 Å
包络 Rg envelope_rg	32.16 Å
形状 Rg shape_rg	33.42 Å
总 Rg total_rg	33.96 Å
总原子数 total_atoms	5026
残基数 n_residues	640
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	104.6 Å
Rg (实空间) rg_real	34.02 Å
Rg 误差 (实空间) rg_real_error	0.90 Å
I(0) (实空间) i0_real	8.2210e+07
I(0) 误差 (实空间) i0_real_error	1.3020e+06
Rg (倒空间) rg_reciprocal	34.04 Å
I(0) (倒空间) i0_reciprocal	82210000.0000
解质量估计 total_estimate	0.8906
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	56.8 Å
偏度 Skewness skewness	0.101
峰度 Kurtosis kurtosis	-0.888
角度范围 angular_range	— – 0.2300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	9760000.0000
实空间数据点数 n_real_points	47
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.950; Smooth: 0.853

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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) 10 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1w45a_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.65 — Annexin
超家族 Superfamily superfamily	a.65.1 — Annexin
家族 Family family	a.65.1.0 — automated matches

结构域编号 domain_id	d1w45b_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.65 — Annexin
超家族 Superfamily superfamily	a.65.1 — Annexin
家族 Family family	a.65.1.0 — automated matches

CATH v4.4 (8 domains)

结构域编号 domain_id	1w45A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45A02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45A03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45A04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45B02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45B03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

结构域编号 domain_id	1w45B04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	220 — Annexin V; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Annexin

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7. 引用文献 (1)

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晶胞边长 a length_a	49.297 Å
晶胞边长 b length_b	59.653 Å
晶胞边长 c length_c	70.788 Å
晶胞夹角 α angle_alpha	84.42 °
晶胞夹角 β angle_beta	83.32 °
晶胞夹角 γ angle_gamma	74.10 °
晶胞分子数 Z z_pdb	2

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

分辨率 resolution	2.510 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	0.2090
R_work r_work	0.2060
R_free r_free	0.2690

描述 description	ANNEXIN A8
分子量 formula_weight	36868.9 kDa
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	2

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	5053

The 2.5 Angstroem structure of the K16A mutant of annexin A8, which has an intact N-terminus.

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) 10 domains

SCOP 2.08 (2 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
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	27

fit	/app/data/saxs_computation/w4/1w45/1w45.fit
pddf	/app/data/pr_computation/w4/1w45/1w45.pr.out
profile	/app/data/saxs_computation/w4/1w45/1w45.dat