9elu

CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) IGG1 FC FRAGMENT- FC-GAMMA RECEPTOR IIA COMPLEX P131 VARIANT

Method: X-RAY DIFFRACTION D_max: 114.5 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9elu
沉积日期 deposition_date	2024-12-05
结构标题 title	CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) IGG1 FC FRAGMENT- FC-GAMMA RECEPTOR IIA COMPLEX P131 VARIANT
关键词 keywords	IMMUNOGLOBULIN, IGG1, IMMUNE SYSTEM, IMMUNOGLOBULIN-LIKE BETA SANDWICH, FC FRAGMENT, FC GAMMA RECEPTOR IIA, CD32A; IMMUNE SYSTEM
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	33.24 Å
回转半径 Rg (电子) rg_electron	32.48 Å
零角强度 I(0) i0	82429200.00
分子量 molecular_weight	71414.0 kDa
排除体积 excluded_volume	89149 Å³
包络体积 envelope_volume	123930 Å³
水化壳体积 shell_volume	33459 Å³
包络直径 envelope_diameter	121.3 Å
壳层 Rg shell_rg	37.66 Å
包络 Rg envelope_rg	31.63 Å
形状 Rg shape_rg	32.48 Å
总 Rg total_rg	32.94 Å
总原子数 total_atoms	5027
残基数 n_residues	602
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	114.5 Å
Rg (实空间) rg_real	33.38 Å
Rg 误差 (实空间) rg_real_error	1.02 Å
I(0) (实空间) i0_real	8.2430e+07
I(0) 误差 (实空间) i0_real_error	1.3890e+06
Rg (倒空间) rg_reciprocal	33.32 Å
I(0) (倒空间) i0_reciprocal	82420000.0000
解质量估计 total_estimate	0.8660
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	43.0 Å
偏度 Skewness skewness	0.423
峰度 Kurtosis kurtosis	-0.130
角度范围 angular_range	— – 0.2400 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	7889000.0000
实空间数据点数 n_real_points	49
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.923; Smooth: 0.882

▶

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

▶

5. 实体与聚合体信息 (7)

Entity 1 polymer

描述 description	IgG1 Fc
分子量 formula_weight	25143.4 kDa
来源方法 src_method	man
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	5058

PTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPDVKFNWYVNGAEVHHAQTKPRETQYNSTYRVVSVLTVTHQDWLNGKEYTCKVSNKALPAPIQKTISKDKGQPREPQVYTLPPSREELTKNQVSLTCLVKGFYPSDIVVEWESSGQPENTYKTTPPVLDSDGSYFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSVSPGK

来源 Source

来源生物 organism	Macaca mulatta
通用名 common_name	Rhesus monkey
NCBI 分类编号 ncbi_taxonomy_id	9544
宿主生物 host_organism	Homo sapiens

Entity 2 polymer

描述 description	IgG receptor IIA (CD32A) P131 variant Fc fragment
分子量 formula_weight	19387.7 kDa
突变 mutation	H131P
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

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

AGAPPKAVLKLEPPWINVLREDSVTLTCGGAHSPDSDSTQWFHNGNLIPTHTQPSYMFKANNNDSGEYRCQTGRTSLSDPVHLTVLSEWLALQTTHLEFREGETIMLRCHSWKDKPLIKVAFFQNGKSKNFSPMNPNFSIPQANHSHSGDYHCTGNIGYTPYSSKPVTITVQVP

来源 Source

来源生物 organism	Macaca mulatta
通用名 common_name	Rhesus monkey
NCBI 分类编号 ncbi_taxonomy_id	9544
宿主生物 host_organism	Homo sapiens

Entity 3 branched

描述 description	;beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ;
分子量 formula_weight	1625.5 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 4 branched

描述 description	;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ;
分子量 formula_weight	1463.3 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 5 branched

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	570.5 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 6 non-polymer

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	221.2 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 7 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	127.528 Å
晶胞边长 b length_b	127.528 Å
晶胞边长 c length_c	256.137 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	120.00 °
晶胞分子数 Z z_pdb	24

空间群 space_group	P 65 2 2
空间群编号 int_tables_number	179
晶系 crystal_system	—

分辨率 resolution	2.650 Å
最低分辨率 resolution_low	46.370 Å
R 因子 r_factor	0.2800
R_work r_work	0.2770
R_free r_free	0.3270

fit	/app/data/saxs_computation/el/9elu/9elu.fit
pddf	/app/data/pr_computation/el/9elu/9elu.pr.out
profile	/app/data/saxs_computation/el/9elu/9elu.dat

CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) IGG1 FC FRAGMENT- FC-GAMMA RECEPTOR IIA COMPLEX P131 VARIANT

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 (7)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 branched

Entity 4 branched

Entity 5 branched

Entity 6 non-polymer

Entity 7 water

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)