9ofb

CryoEM structure of Cad1 bound with cA4 and ATP, symmetry expanded dimer refined against a composite map

Method: ELECTRON MICROSCOPY D_max: 121.1 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	9ofb
沉积日期 deposition_date	2025-04-29
结构标题 title	CryoEM structure of Cad1 bound with cA4 and ATP, symmetry expanded dimer refined against a composite map
关键词 keywords	CRISPR-associated Rossman-fold (CARF), ATP deaminase, CRISPR immunity, cooperative activation, IMMUNE SYSTEM, HYDROLASE; IMMUNE SYSTEM, HYDROLASE
实验方法 method	ELECTRON MICROSCOPY

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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	39.42 Å
回转半径 Rg (电子) rg_electron	38.68 Å
零角强度 I(0) i0	295547000.00
分子量 molecular_weight	136860.0 kDa
排除体积 excluded_volume	170000 Å³
包络体积 envelope_volume	218470 Å³
水化壳体积 shell_volume	47615 Å³
包络直径 envelope_diameter	123.0 Å
壳层 Rg shell_rg	43.71 Å
包络 Rg envelope_rg	38.22 Å
形状 Rg shape_rg	38.67 Å
总 Rg total_rg	39.02 Å
总原子数 total_atoms	9628
残基数 n_residues	1213
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	121.1 Å
Rg (实空间) rg_real	39.43 Å
Rg 误差 (实空间) rg_real_error	0.78 Å
I(0) (实空间) i0_real	2.9550e+08
I(0) 误差 (实空间) i0_real_error	4.8410e+06
Rg (倒空间) rg_reciprocal	39.43 Å
I(0) (倒空间) i0_reciprocal	295500000.0000
解质量估计 total_estimate	0.8761
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	36.3 Å
偏度 Skewness skewness	0.197
峰度 Kurtosis kurtosis	-0.832
角度范围 angular_range	— – 0.2000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	64140000.0000
实空间数据点数 n_real_points	41
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.950; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.575

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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 (6)

Entity 1 polymer

描述 description	CRISPR-associated ring nuclease and adenosine deaminase, subunit A
分子量 formula_weight	69499.1 kDa
EC 编号 ec_number	3.5.4.4
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	9662

MRILLCSVGTSWAVVPEAMQLLGSQGFDEVHVLTTASSKISPGVEQLLRYFEMHPGPRFSISRVQDFEDLRSEQDHMLFEEVLWRWLLQRAPQAAHRYICLAGGYKTISAAMQRAAALFGACEVFHVLCEPRFGPQGNREASTLEEVEQAIATNALRFVRLGPEPGWPQLRLLSAPSFPLESTLQGPVHWVRASDMRLRQHVEGVLERSRHILAAWEGISELPIPALAAWPPSHLRWLHEPLDPVQDKAWVQALPKVELHCHLGGFATHGELLHKVRQEAANPESLPPVRAIPLPPGWPIPEEPIGLERYMRLGDNNGSALLKDPGCLRAQCRLLYEALLADHVAYAEIRCSPANYASASRSPWVVLQEIRNHFQQAMEETPEDRRCHVNLLLTATREEGGDRSRIARHLALAITAAEHWKNGCRVVGVDLAGFEDRTTRAAMFATDFEPVHRVGLAVTVHAGENDDVEGIWQAVFKLSARRLGHALHLSRSPDLLRVVAERGIAVELCPYANLQIKGFPLDEEQEGSETYPLRGYLAAGVAVTLNTDNLGISQASLTDNLLLTARLCPGITRLEVLKTQVFAAQAAFANQAERKALWARLAQVPVPTDTEQKNGNDAKASHQPR

来源 Source

来源生物 organism	Thermoanaerobaculum aquaticum
NCBI 分类编号 ncbi_taxonomy_id	1312852
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	cA4 cleavage product, A2>P
分子量 formula_weight	675.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polyribonucleotide
链编号 strand_id	C,D

Entity 3 non-polymer

描述 description	ADENOSINE-5'-TRIPHOSPHATE
分子量 formula_weight	507.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 5 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 6 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	6

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7. 引用文献 (1)

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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	—

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

分辨率 resolution	2.68 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	257900

fit	/app/data/saxs_computation/of/9ofb/9ofb.fit
pddf	/app/data/pr_computation/of/9ofb/9ofb.pr.out
profile	/app/data/saxs_computation/of/9ofb/9ofb.dat

CryoEM structure of Cad1 bound with cA4 and ATP, symmetry expanded dimer refined against a composite map

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (6)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)