1xwo

crystal structrue of goose delta crystallin

Method: X-RAY DIFFRACTION D_max: 126.3 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	1xwo
沉积日期 deposition_date	2004-11-02
结构标题 title	crystal structrue of goose delta crystallin
关键词 keywords	Alpha helix bundle, double dimer, lyase; LYASE
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	36.80 Å
回转半径 Rg (电子) rg_electron	36.12 Å
零角强度 I(0) i0	567907000.00
分子量 molecular_weight	198270.0 kDa
排除体积 excluded_volume	250390 Å³
包络体积 envelope_volume	299540 Å³
水化壳体积 shell_volume	65949 Å³
包络直径 envelope_diameter	128.4 Å
壳层 Rg shell_rg	44.49 Å
包络 Rg envelope_rg	36.37 Å
形状 Rg shape_rg	36.12 Å
总 Rg total_rg	36.63 Å
总原子数 total_atoms	13908
残基数 n_residues	1794
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	126.3 Å
Rg (实空间) rg_real	36.61 Å
Rg 误差 (实空间) rg_real_error	0.82 Å
I(0) (实空间) i0_real	5.6790e+08
I(0) 误差 (实空间) i0_real_error	9.1930e+06
Rg (倒空间) rg_reciprocal	36.73 Å
I(0) (倒空间) i0_reciprocal	568000000.0000
解质量估计 total_estimate	0.7968
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	44.1 Å
偏度 Skewness skewness	0.190
峰度 Kurtosis kurtosis	-0.459
角度范围 angular_range	— – 0.2150 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	216300000.0000
实空间数据点数 n_real_points	44
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.785; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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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) 16 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1xwoa_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.127 — L-aspartase-like
超家族 Superfamily superfamily	a.127.1 — L-aspartase-like
家族 Family family	a.127.1.1 — L-aspartase/fumarase

结构域编号 domain_id	d1xwob_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.127 — L-aspartase-like
超家族 Superfamily superfamily	a.127.1 — L-aspartase-like
家族 Family family	a.127.1.1 — L-aspartase/fumarase

结构域编号 domain_id	d1xwoc_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.127 — L-aspartase-like
超家族 Superfamily superfamily	a.127.1 — L-aspartase-like
家族 Family family	a.127.1.1 — L-aspartase/fumarase

结构域编号 domain_id	d1xwod_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.127 — L-aspartase-like
超家族 Superfamily superfamily	a.127.1 — L-aspartase-like
家族 Family family	a.127.1.1 — L-aspartase/fumarase

CATH v4.4 (12 domains)

结构域编号 domain_id	1xwoA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	275 — Fumarase C; Chain B, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (N-terminal domain)

结构域编号 domain_id	1xwoA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	200 — Fumarase C; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (Central domain)

结构域编号 domain_id	1xwoA03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	40 — Ribonucleotide Reductase Protein R1; domain 1
同源超家族 H-superfamily homologous superfamily	30 — Fumarase/aspartase (C-terminal domain)

结构域编号 domain_id	1xwoB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	275 — Fumarase C; Chain B, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (N-terminal domain)

结构域编号 domain_id	1xwoB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	200 — Fumarase C; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (Central domain)

结构域编号 domain_id	1xwoB03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	40 — Ribonucleotide Reductase Protein R1; domain 1
同源超家族 H-superfamily homologous superfamily	30 — Fumarase/aspartase (C-terminal domain)

结构域编号 domain_id	1xwoC01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	275 — Fumarase C; Chain B, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (N-terminal domain)

结构域编号 domain_id	1xwoC02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	200 — Fumarase C; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (Central domain)

结构域编号 domain_id	1xwoC03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	40 — Ribonucleotide Reductase Protein R1; domain 1
同源超家族 H-superfamily homologous superfamily	30 — Fumarase/aspartase (C-terminal domain)

结构域编号 domain_id	1xwoD01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	275 — Fumarase C; Chain B, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (N-terminal domain)

结构域编号 domain_id	1xwoD02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	200 — Fumarase C; Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Fumarase/aspartase (Central domain)

结构域编号 domain_id	1xwoD03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	40 — Ribonucleotide Reductase Protein R1; domain 1
同源超家族 H-superfamily homologous superfamily	30 — Fumarase/aspartase (C-terminal domain)

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7. 引用文献 (1)

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晶胞边长 a length_a	93.700 Å
晶胞边长 b length_b	99.000 Å
晶胞边长 c length_c	106.500 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	101.40 °
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	2.800 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	0.2200
R_work r_work	0.2100
R_free r_free	0.2890

描述 description	Delta crystallin
分子量 formula_weight	51300.9 kDa
EC 编号 ec_number	4.3.2.1
来源方法 src_method	nat
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	14142

crystal structrue of goose delta crystallin

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

Entity 2 water

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (4 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	234

fit	/app/data/saxs_computation/xw/1xwo/1xwo.fit
pddf	/app/data/pr_computation/xw/1xwo/1xwo.pr.out
profile	/app/data/saxs_computation/xw/1xwo/1xwo.dat