SAXSdb — 8i8b

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	8i8b
沉积日期 deposition_date	2023-02-03
结构标题 title	Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
关键词 keywords	virus, capsid protein, VIRAL PROTEIN; VIRAL 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	60.06 Å
回转半径 Rg (电子) rg_electron	59.72 Å
零角强度 I(0) i0	2477060000.00
分子量 molecular_weight	426650.0 kDa
排除体积 excluded_volume	536890 Å³
包络体积 envelope_volume	852790 Å³
水化壳体积 shell_volume	118500 Å³
包络直径 envelope_diameter	206.7 Å
壳层 Rg shell_rg	62.84 Å
包络 Rg envelope_rg	57.68 Å
形状 Rg shape_rg	59.71 Å
总 Rg total_rg	59.84 Å
总原子数 total_atoms	30015
残基数 n_residues	3660
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	205.9 Å
Rg (实空间) rg_real	59.94 Å
Rg 误差 (实空间) rg_real_error	2.47 Å
I(0) (实空间) i0_real	2.4770e+09
I(0) 误差 (实空间) i0_real_error	5.2980e+07
Rg (倒空间) rg_reciprocal	60.13 Å
I(0) (倒空间) i0_reciprocal	2478000000.0000
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	2
主峰位置 r_peak_primary	71.3 Å
偏度 Skewness skewness	0.242
峰度 Kurtosis kurtosis	-0.443
角度范围 angular_range	— – 0.1300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	133300000.0000
实空间数据点数 n_real_points	27
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.848; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.863

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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 (7)

Entity 1 polymer

描述 description	Major viral capsid protein
分子量 formula_weight	38991.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	W,X,Y,Z
原子数 atom_count	30015

MALVPVGMAPRQMRVNRCIFASIVSFDACITYKSPCSPDAYHDDGWFICNNHLIKRFKMSKMVLPIFDEDDNQFKMTIARHLVGNKERGIKRILIPSATNYQDVFNLNSMMQAEQLIFHLIYNNENAVNTICDNLKYTEGFTSNTQRVIHSVYATTKSILDTTNPNTFCSRVSRDELRFFDVTNARALRGGAGDQLFNNYSGFLQNLIRRAVAPEYLQIDTEELRFRNCATCIIDETGLVASVPDGPELYNPIRSSDIMRSQPNRLQIRNVLKFEGDTRELDRTLSGYEEYPTYVPLFLGYQIINSENNFLRNDFIPRANPNATLGGGAVAGPAPGVAGEAGGGIAV

Entity 2 polymer

描述 description	Viral capsid associated protein
分子量 formula_weight	79974.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	3

聚合体 Polymer

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

MNDSNSLLITRLAAQILSRNMQTVDVIVDDKTLSLEEKIDTLTSMVLAVNSPPQSPPRVTSSDLAASIIKNNSKMVGNDFEMRYNVLRMAVVFVKHYPKYYNETTAGLVAEIESNLLQYQNYVNQGNYQNIEGYDSLLNKAEECYVKIDRLFKESIKKIMDDTEAFEREQEAERLRAEQTAANALLERRAQTSADDVVNRADANIPTAFSDPLPGPSAPRYMYESSESDTYMETARRTAEHYTDQDKDYNAAYTADEYNSLVKTVLLRLIEKALATLKNRLHITTIDQLKKFRDYLNSDADAGEFQIFLNQEDCVILKNLSNLASKFFNVRCVADTLEVMLEALRNNIELVQPESDAVRRIVIKMTQEIKDSSTPLYNIAMYKSDYDAIKNKNIKTLFDLYNDRLPINFLDTSATSPVRKTSGKRSAEDDLLPTRSSKRANRPEINVISSEDEQEDDDVEDVDYEKESKRRKLEDEDFLKLKALEFSKDIVNEKLQKIIVVTDGMKRLYEYCNCKNSLETLPSAANYGSLLKRLNLYNLDHIEMNVNFYELLFPLTLYNDNDNSDKTLSHQLVNYIFLASNYFQNCAKNFNYMRETFNVFGPFKQIDFMVMFVIKFNFLCDMRNFAKLIDELVPNKQPNMRIHSVLVMRDKIVKLAFSNLQFQTFSKKDKSRNTKHLQRLIMLMNANYNVI

Entity 3 polymer

描述 description	AcOrf-109 peptide
分子量 formula_weight	44851.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

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

MECPFQIQVCISDRFFAFPHNLVEPQSDVGNKLIENLIVYVPTDDDRLYIDKKQFPKFNSVLVYRHEHDVNIDSRSPKKTASATIVYWNPLVPITEIGAGETRVFSVLLTNNLFYCNTMIVHHENPKCPIEFTYPETDMQSACSALLKNRNGQSVPPPIKSNLRPIACEIPLSHFKELVESNDFLLCFNLETSTMVKILSLKRIFCIFQYRKQPARYVINLPHEEIDNLYNKLNWERTRRLMKGDVPSNCATVNRSSLKYIKQAQSLLGIPDYSQTVVDFVKMFQKIIFPYQLVPNVIIKLNNFDQMVSSAPNKAEPYKKIRLFCKNDSIAISSSGIVPINMPDFSPPNTFDYSDYANRTNINFVTQRVLTDGGFSSGITVTPVKYNYYL

Entity 4 polymer

描述 description	Early 49 Daa protein
分子量 formula_weight	55480.9 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

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

MSGGGNLLTLERDHFKYLFLTSYFDLKDNEHVPSEPMAFIRNYLNCTFDLLDDAVLMNYFNYLQSMQLKHLVGSTSTNIFKFVKPQFRFVCDRTTVDILEFDTRMYIKPGTPVYATNLFTSNPRKMMAFLYAEFGKVFKNKIFVNINNYGCVLAGSAGFLFDDAYVDWNGVRMCAAPRLDNNMHPFRLYLLGEDMAKHFVDNNILPPHPSNAKTRKINNSMFMLKNFYKGLPLFKSKYTVVNSTKIVTRKPNDIFNEIDKELNGNCPFIKFIQRDYIFDAQFPPDLLDLLNEYMTKSSIMKIITKFVIEENPAMSGEMSREIILDRYSVDNYRKLYIKMEITNQFPVMYDHESSYIFVSKDFLQLKGTMNAFYAPKQRILSILAVNRLFGATETIDFHPNLLVYRQSSPPVRLTGDVYVVDKNEKVFLVKHVFSNTVPAYLLIRGDYESSSDLKSLRDLNPWVQNTLLKLLIPDSVQ

Entity 5 polymer

描述 description	P40
分子量 formula_weight	41583.6 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	F,G

MSAIALYLEINKLRLKIDEPMQLAIWPQLFPLLCDEHQSVQLNTDVLINFMMHVARKSQNTILNNNAAIASQYAAGNADVVAAPASAQPTPRPVINLFARANAAAPAQPSEELINMRRYRNAARKLIHHYSLNSTSSTEYKISDVVMTMIFLLRSEKYHSLFKLLETTFDDYTCRPQMTQVQTDTLLDAVRSLLEMPSTTIDLTTVDIMRSSFARCFNSPIMRYAKIVLLQNVALQRDKRTTLEELLIERGEKIQMLQPQQYINSGTEIPFCDDAEFLNRLLKHIDPYPLSRMYYNAANTMFYTTMENYAVSNCKFNIEDYNNIFKVMENIRKHSNKNSNDQDELNIYLGVQSSNAKRKKY

Entity 6 polymer

描述 description	Occlusion-derived virus envelope/capsid protein
分子量 formula_weight	33568.2 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	H,I

MKRIKCNKVRTVTEIVNSDEKIQKTYELAEFDLKNLSSLESYETLKIKLALSKYMAMLSTLEMTQPLLEIFRNKADTRQIAAVVFSTLAFIHNRFHPLVTNFTNKMEFVVTETNDTSIPGEPILFTENEGVLLCSVDRPSIVKMLSREFDTEALVNFENDNCNVRIAKTFGASKRKNTTRSDDYESNKQPNYDMDLSDFSITEVEATQYLTLLLTVEHAYLHYYIFKNYGVFEYCKSLTDHSLFTNKLRSTMSTKTSNLLLSKFKFTIEDFDKINSNSVTSGFNIYNFNK

Entity 7 polymer

描述 description	38K
分子量 formula_weight	38070.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

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

MASSLQSKWICLRLNDAIIKRHVLVLSEYADLKYLGFEKYKFFEYVIFQFCNDPQLCKIIENNYNYCMQIFKAPADDMRDIRHNIKRAFKTPVLGHMCVLSNKPPMYSFLKEWFLLPHYKVVSLKSESLTWGFPHVVVFDLDSTLITEEEQVEIRDPFVYDSLQELHEMGCVLVLWSYGSRDHVAHSMRDVDLEGYFDIIISEGSTVQEERSDLVQNSHNAIVDYNLKKRFIENKFVFDIHNHRSDNNIPKSPKIVIKYLSDKNVNFFKSITLVDDLPTNNYAYDFYVKVKRCPTPVQDWEHYHNEIIQNIMDYEQYFIK

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7. 引用文献 (1)

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分辨率 resolution	4.31 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	337988

fit	/app/data/saxs_computation/i8/8i8b/8i8b.fit
pddf	/app/data/pr_computation/i8/8i8b/8i8b.pr.out
profile	/app/data/saxs_computation/i8/8i8b/8i8b.dat

Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (7)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

Entity 4 polymer

聚合体 Polymer

Entity 5 polymer

聚合体 Polymer

Entity 6 polymer

聚合体 Polymer

Entity 7 polymer

聚合体 Polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)