8qp0

A hexamer pore in the S-layer of Sulfolobus acidocaldarius formed by SlaA protein

Method: ELECTRON MICROSCOPY D_max: 316.4 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	8qp0
沉积日期 deposition_date	2023-09-29
结构标题 title	A hexamer pore in the S-layer of Sulfolobus acidocaldarius formed by SlaA protein
关键词 keywords	S-layer, dimer, N-glycosylation, archea, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
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	90.41 Å
回转半径 Rg (电子) rg_electron	90.22 Å
零角强度 I(0) i0	9622940000.00
分子量 molecular_weight	888720.0 kDa
排除体积 excluded_volume	1131000 Å³
包络体积 envelope_volume	2108100 Å³
水化壳体积 shell_volume	192970 Å³
包络直径 envelope_diameter	271.3 Å
壳层 Rg shell_rg	94.73 Å
包络 Rg envelope_rg	83.85 Å
形状 Rg shape_rg	90.21 Å
总 Rg total_rg	90.32 Å
总原子数 total_atoms	62868
残基数 n_residues	8370
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	316.4 Å
Rg (实空间) rg_real	90.42 Å
Rg 误差 (实空间) rg_real_error	2.70 Å
I(0) (实空间) i0_real	9.6270e+09
I(0) 误差 (实空间) i0_real_error	2.3170e+08
Rg (倒空间) rg_reciprocal	91.06 Å
I(0) (倒空间) i0_reciprocal	9641000000.0000
解质量估计 total_estimate	0.8072
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	111.7 Å
偏度 Skewness skewness	0.073
峰度 Kurtosis kurtosis	-0.664
角度范围 angular_range	— – 0.0850 Å⁻¹
当前正则化参数 α current_alpha	0.0816
最高正则化参数 α highest_alpha	336100000.0000
实空间数据点数 n_real_points	18
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.947; 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 (1)

Entity 1 polymer

描述 description	S-layer protein A
分子量 formula_weight	151078.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,D,E,F,G,H
原子数 atom_count	62868

MNKLVGLLVSSLFLASILIGIAPAITTTALTPPVSAGGIQAYLLTGSGAPASGLVLFVVNVSNIQVSSSNVTNVISTVVSNIQINAKTENAQTGATTGSVTVRFPTSGYNAYYDSVDKVVFVVVSFLYPYTTTSVNIPLSYLSKYLPGLLTAQPYDETGAQVTSVSSTPFGSLIDTSTGQQILGTNPVLTSYNSYTTQANTNMQEGVVSGTLTSFTLGGQSFSGSTVPVILYAPFIFSNSPYQAGLYNPMQVNGNLGSLSSEAYYHPVIWGRALINTTLIDTYASGSVPFTFQLNYSVPGPLTINMAQLAWIASINNLPTSFTYLSYKFSNGYESFLGIISNSTQLTAGALTINPSGNFTINGKKFYVYLLVVGSTNSTTPVEYVTKLVVEYPSSTNFLPQGVTVTTSSNKYTLPVYEIGGPAGTTITLTGNWYSTPYTVQITVGSTPTLTNYVSQILLKAVAYEGINVSTTQSPYYSTAILSTPPSEISITGSSTITAQGKLTATSASATVNLLTNATLTYENIPLTQYSFNGIIVTPGYAAINGTTAMAYVIGALYNKTSDYVLSFAGSQEPMQVMNNNLTEVTTLAPFGLTLLAPSVPATETGTSPLQLEFFTVPSTSYIALVDFGLWGNLTSVTVSAYDTVNNKLSVNLGYFYGIVIPPSISTAPYNYQNFICPNNYVTVTIYDPDAVLDPYPSGSFTTSSLPLKYGNMNITGAVIFPGSSVYNPSGVFGYSNFNKGAAVTTFTYTAQSGPFSPVALTGNTNYLSQYADNNPTDNYYFIQTVNGMPVLMGGLSIVASPVSASLPSSTSSPGFMYLLPSAAQVPSPLPGMATPNYNLNIYITYKIDGATVGNNMINGLYVASQNTLIYVVPNGSFVGSNIKLTYTTTDYAVLHYFYSTGQYKVFKTVSVPNVTANLYFPSSTTPLYQLSVPLYLSEPYYGSPLPTYIGLGTNGTSLWNSPNYVLFGVSAVQQYLGFIKSISVTLSNGTTVVIPLTTSNMQTLFPQLVGQELQACNGTFQFGISITGLEKLLNLNVQQLNNSILSVTYHDYVTGETLTATTKLVALSTLSLVAKGAGVVEFLLTAYPYTGNITFAPPWFIAENVVKQPFMTYSDLQFAKTNPSAILSLSTVNITVVGLGGKASVYYNSTSGQTVITNIYGQTVATLSGNVLPTLTELAAGNGTFTGSLQFTIVPNNTVVQIPSSLTKTSFAVYTNGSLAIVLNGKAYSLGPAGLFLLPFVTYTGSAIGANATAIITVSDGVGTSTTQVPITAENFTPIRLAPFQVPAQVPLPNAPKLKYEYNGSIVITPQQQVLKIYVTSILPYPQEFQIQAFVYEASQFNVHTGSPTAAPVYFSYSAVRAYPALGIGTSVPNLLVYVQLQGISNLPAGKYVIVLSAVPFAGGPVLSEYPAQLIFTNVTLTQ

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7. 引用文献 (1)

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分辨率 resolution	11.20 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	2271

fit	/app/data/saxs_computation/qp/8qp0/8qp0.fit
pddf	/app/data/pr_computation/qp/8qp0/8qp0.pr.out
profile	/app/data/saxs_computation/qp/8qp0/8qp0.dat