9mm6

ROOLefa-octamer-wild type

Method: ELECTRON MICROSCOPY D_max: 241.8 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	9mm6
沉积日期 deposition_date	2024-12-20
结构标题 title	ROOLefa-octamer-wild type
关键词 keywords	natural RNA nanocage, drug delivery, RNA; RNA
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	— Å
回转半径 Rg (电子) rg_electron	105.40 Å
零角强度 I(0) i0	71116000000.00
分子量 molecular_weight	1287000.0 kDa
排除体积 excluded_volume	1199800 Å³
包络体积 envelope_volume	4734400 Å³
水化壳体积 shell_volume	392420 Å³
包络直径 envelope_diameter	288.5 Å
壳层 Rg shell_rg	112.00 Å
包络 Rg envelope_rg	88.14 Å
形状 Rg shape_rg	105.30 Å
总 Rg total_rg	105.40 Å
总原子数 total_atoms	84934
残基数 n_residues	3952
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	241.8 Å
Rg (实空间) rg_real	104.50 Å
Rg 误差 (实空间) rg_real_error	0.18 Å
I(0) (实空间) i0_real	6.8150e+10
I(0) 误差 (实空间) i0_real_error	9.5220e+08
Rg (倒空间) rg_reciprocal	114.00 Å
I(0) (倒空间) i0_reciprocal	73020000000.0000
解质量估计 total_estimate	0.8971
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	161.2 Å
偏度 Skewness skewness	-0.393
峰度 Kurtosis kurtosis	-0.636
角度范围 angular_range	— – 0.0750 Å⁻¹
当前正则化参数 α current_alpha	1.9360
最高正则化参数 α highest_alpha	4096000000.0000
实空间数据点数 n_real_points	16
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.975; Stabil: 0.955; Sysdev: 1.000; Positv: 1.000; Valcen: 0.878; 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 (3)

Entity 1 polymer

描述 description	RNA (526-MER)
分子量 formula_weight	187837.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	8

聚合体 Polymer

聚合体类型 type	polyribonucleotide
链编号 strand_id	A,E,I,M,Q,U,Y,c
原子数 atom_count	84934

AAUUGAAAAAUCAAUAGAUUUAAACCUAGUGAAGAGCAUUUGAACAAUGUGCUAGGGUAGUAUGGGAUAAGUCGAUAACUAAAAUGAAUUGGGAUACUGAUUGAUUUUAGUGGUGGAUUUUACAGCAAUGUAAAAAGGACUAAUAGUAAAAGCUAUUAAUCGCAAAGUACUACGUGGAAUUUGUGCAGGUGUAAGGUACGAAACUUUCGAGUGUGACAAUAGACGCUCCAGUGGAGAAUAAUCUAAGUUAGGUGGAAGUGUGAGAAGCUUGGCAGACCUUAGAAAACUCAAACCAAGCGCUUUGCAGAGAAACUGAGAAAUCAGUGUUUAACGAAAGAAGUCGGUACGAGUAGCUUAAUGCAGCAAUUUAUUUACAGAUGACAAAUAAUAAAAAUGGGACUCUUAUGUAAAUGCUGAAUGUUCAAGUGAAAGUUAUUAGCCAGUAGAGCUAGAUCAUACAGAAAAAGCAAAGAGAAGCUAUUGGGUAGCGCCCGAUAGUUCAGCCUCUUUGGGUAUGUGACUGAAUAACACUGUAAACAAAGGAAGCAGGAAGAAAAGCCUAAAUCUGUUGAUUUUUGAG

Entity 2 non-polymer

描述 description	POTASSIUM ION
分子量 formula_weight	39.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	43

Entity 3 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	11

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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	—

分辨率 resolution	2.940 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

分辨率 resolution	2.94 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	225901

fit	/app/data/saxs_computation/mm/9mm6/9mm6.fit
pddf	/app/data/pr_computation/mm/9mm6/9mm6.pr.out
profile	/app/data/saxs_computation/mm/9mm6/9mm6.dat

ROOLefa-octamer-wild type

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (3)

Entity 1 polymer

聚合体 Polymer

Entity 2 non-polymer

Entity 3 non-polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)