1iga

MODEL OF HUMAN IGA1 DETERMINED BY SOLUTION SCATTERING CURVE-FITTING AND HOMOLOGY MODELLING

Method: SOLUTION SCATTERING D_max: 219.2 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	1iga
沉积日期 deposition_date	1998-12-23
结构标题 title	MODEL OF HUMAN IGA1 DETERMINED BY SOLUTION SCATTERING CURVE-FITTING AND HOMOLOGY MODELLING
关键词 keywords	IMMUNOGLOBULIN, IGA1; IMMUNOGLOBULIN
实验方法 method	SOLUTION SCATTERING

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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	71.78 Å
回转半径 Rg (电子) rg_electron	73.02 Å
零角强度 I(0) i0	326788000.00
分子量 molecular_weight	148430.0 kDa
排除体积 excluded_volume	180030 Å³
包络体积 envelope_volume	233560 Å³
水化壳体积 shell_volume	34760 Å³
包络直径 envelope_diameter	233.9 Å
壳层 Rg shell_rg	49.15 Å
包络 Rg envelope_rg	68.39 Å
形状 Rg shape_rg	72.93 Å
总 Rg total_rg	72.48 Å
总原子数 total_atoms	—
残基数 n_residues	—
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	219.2 Å
Rg (实空间) rg_real	72.28 Å
Rg 误差 (实空间) rg_real_error	2.07 Å
I(0) (实空间) i0_real	3.2620e+08
I(0) 误差 (实空间) i0_real_error	7.5380e+06
Rg (倒空间) rg_reciprocal	68.42 Å
I(0) (倒空间) i0_reciprocal	324100000.0000
解质量估计 total_estimate	0.6454
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	29.9 Å
偏度 Skewness skewness	0.508
峰度 Kurtosis kurtosis	-0.600
角度范围 angular_range	— – 0.1100 Å⁻¹
当前正则化参数 α current_alpha	0.0033
最高正则化参数 α highest_alpha	7943000.0000
实空间数据点数 n_real_points	23
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.190; Stabil: 0.993; Sysdev: 1.000; Positv: 1.000; Valcen: 0.478; Smooth: 0.356

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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)

Entity 1 polymer

描述 description	IGA1
分子量 formula_weight	51068.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	1378

QVKLLEQSGAEVKKPGASVKVSCKASGYSFTSYGLHWVRQAPGQRLEWMGWISAGTGNTKYSQKFRGRVTFTRDTSATTAYMGLSSLRPEDTAVYYCARDPYGGGKSEFDYWGQGTLVTVSSASPTSPKVFPLSLCSTQPDGNVVIACLVQGFFPQEPLSVTWSESGQGVTARNFPPSQDASGDLYTTSSQLTLPATQCLAGKSVTCHVKHYTNPSQDVTVPCPVPSTPPTPSPSTPPTPSPSCCHPRLSLHRPALEDLLLGSEANLTCTLTGLRDASGVTFTWTPSSGKSAVQGPPERDLCGCYSVSSVLPGCAEPWNHGKTFTCTAAYPESKTPLTATLSKSGNTFRPEVHLLPPPSEELALNELVTLTCLARGFSPKDVLVRWLQGSQELPREKYLTWASRQEPSQGTTTFAVTSILRVAAEDWKKGDTFSCMVGHEALPLAFTQKTIDRLAGKPTHVNVSVVMAEVDGTCY

Entity 2 polymer

描述 description	IGA1
分子量 formula_weight	23216.8 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C,D

ELVMTQSPSSLSASVGDRVNIACRASQGISSALAWYQQKPGKAPRLLIYDASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFAIYYCQQFNSYPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

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7. 引用文献 (3)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	1

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

fit	/app/data/saxs_computation/ig/1iga/1iga.fit
pddf	/app/data/pr_computation/ig/1iga/1iga.pr.out
profile	/app/data/saxs_computation/ig/1iga/1iga.dat

MODEL OF HUMAN IGA1 DETERMINED BY SOLUTION SCATTERING CURVE-FITTING AND HOMOLOGY MODELLING

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

5. 实体与聚合体信息 (2)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

7. 引用文献 (3)

8. 文件与曲线 (10)

Files (7)

Curves (3)