SAXSdb — 9eui

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9eui
沉积日期 deposition_date	2024-03-27
结构标题 title	Cryo-EM structure of Staphylococcus aureus bacteriophage phi812 baseplate in the post-contraction state - complete
关键词 keywords	bacteriophage, phage, contractile, phi812, baseplate, VIRUS; VIRUS
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	153.90 Å
零角强度 I(0) i0	25421200000.00
分子量 molecular_weight	1306300.0 kDa
排除体积 excluded_volume	1609500 Å³
包络体积 envelope_volume	4564300 Å³
水化壳体积 shell_volume	263770 Å³
包络直径 envelope_diameter	609.4 Å
壳层 Rg shell_rg	104.90 Å
包络 Rg envelope_rg	157.70 Å
形状 Rg shape_rg	154.10 Å
总 Rg total_rg	152.90 Å
总原子数 total_atoms	92215
残基数 n_residues	12485
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	420.5 Å
Rg (实空间) rg_real	142.70 Å
Rg 误差 (实空间) rg_real_error	2.70 Å
I(0) (实空间) i0_real	2.4220e+10
I(0) 误差 (实空间) i0_real_error	6.1860e+08
Rg (倒空间) rg_reciprocal	118.00 Å
I(0) (倒空间) i0_reciprocal	22430000000.0000
解质量估计 total_estimate	0.8993
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	126.1 Å
偏度 Skewness skewness	0.366
峰度 Kurtosis kurtosis	-0.740
角度范围 angular_range	— – 0.0500 Å⁻¹
当前正则化参数 α current_alpha	1.0410
最高正则化参数 α highest_alpha	599800000.0000
实空间数据点数 n_real_points	11
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.149; Oscil: 0.971; Stabil: 0.979; Sysdev: 1.000; Positv: 1.000; Valcen: 0.840; Smooth: 0.004

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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	Baseplate wedge subunit
分子量 formula_weight	26611.8 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	A
原子数 atom_count	92215

MRFKKHVVQHEETMQAIAQRYYGDVSYWIDLVEHNNLKYPYLVETDEEKMKDPERLASTGDTLIIPIESDLTDVSAKEINSRDKDVLVELALGRDLNITADEKYFNEHGTSDNILAFSTNGNGDLDTVKGIDNMKQQLQARLLTPRGSLMLHPNYGSDLHNLFGLNIPEQATLIEMEVLRTLTSDNRVKSANLIDWKIQGNVYSGQFSVEIKSVEESINFVLGQDEEGIFALFE

Entity 2 polymer

描述 description	Baseplate component
分子量 formula_weight	39248.9 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	B,C

MKTRKLTNILSKLIDKTMAGTSKITDFTPGSASRSLLEAVSLEIEQFYILTKENIDWGIQEGIIEAFDFQKRQSKRAYGDVTIQFYQPLDMRMYIPAGTTFTSTRQEYPQQFETLVDYYAEPDSTEIVVEVYCKETGVAGNVPEGTINTIASGSSLIRSVNNEYSFNTGTKEESQEDFKRRFHSFVESRGRATNKSVRYGALQIPDVEGVYVYEETGHITVFAHDRNGNLSDTLKEDIIDALQDYRPSGIMLDVTGVEKEEVNVSATVTISNKSRIGDTLQKHIESVIRSYLNNLKTSDDLIITDLIQAIMNIDDVLIYDVSFDNLDENIIVPPQGIIRAGEIKVELK

Entity 3 polymer

描述 description	TmpF
分子量 formula_weight	116389.9 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	D

MANFLKNLHPLLRRDRNKKDNQDPNFALIDALNEEMNQVEKDAIESKLQSSLKTSTSEYLDKFGDWFGVYRKTDEKDDVYRARIIKYLLLKRGTNNAIIDAIKDYLGRDDIDVSVYEPFTNIFYTNKSHLNGEDHLMGYYYRFAVINVSIGDYFPVEIIDVINEFKPAGVTLYVTYDGASTIRGGAIIKWLDGLPKIETYQEFDRFTGYDDTFYGHINMNQSKDTDNSSSDIFKTNHSLINSLDVLTGSSSVGRQYINYGYVTSYVYNPGMTSSVNQISASTEGRGQEVPTDYYMYTSTKNNNTVELSMQTTSGVSYLYNNFNFRDYMSKYRPQVDLQSDEARRIVSDYIKELSIDYYLSAVIPPDESIEIKLQVYDFSINRWLTVSINNLSFYEKNIGSNIGYIKDYLNSELNMFTRLEINAGKRDSVDIKVNYLDLMFYYYERGIYTIKPYKALIENYLDISRETYVEAFKIASLSNGDIITKTGFQPIGYLKLVGNYENTIPSTINIVAKDTDNNPIESNELDVYNTVENRNLLQSYKGVNTIAREITSTKEFTVSGWAKEIYSTNYLSKVLKPGKVYTLSFDMEITGNDPTLKSYSDNHGIYLYSNTKGIVVNGVKSMERTIGNKVSVTQTFTAPTITDHRLLIYTGRYTSDGKASTPPVFFNTVKITELKLTEGSSKLEYSPAPEDKPNVIEKGIKFNNILTNIQTLSINSDTILKNVTLYYSYYGDSWVELKTLGNISTGETTETNNLIDLYGLQTVDYSNINPMSKVSLRSIWNVKLGELNNQEGSLSNMPNDYFNAVWQDIDKLSDIELGSMRMVKDTEGGVFDGATGEIIKATLFNVGAYTDLDMLAYTLTNYTEPLTLGSSRLISELKEELLTSESFNVDNRIKVIDSIYEELPNTSIIKNGFVEREVTGSKYLDYGLYEPIEDGTRYKLIVEGEFKDNIEFISLYNSNPNFNETFIYPSEIINGVAEKEFIAKPSTEDKPRLNTDVRIYIRPYDSTISKVRRVELRKV

Entity 4 polymer

描述 description	Major tail sheath protein
分子量 formula_weight	64559.0 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	E,F,G,H,I,J

MAVEPFPRRPITRPHASIEVDTSGIGGSAGSSEKVFCLIGQAEGGEPNTVYELRNYSQAKRLFRSGELLDAIELAWGSNPNYTAGRILAMRIEDAKPASAEIGGLKITSKIYGNVANNIQVGLEKNTLSDSLRLRVIFQDDRFNEVYDNIGNIFTIKYKGEEANATFSVEHDEETQKASRLVLKVGDQEVKSYDLTGGAYDYTNAIITDINQLPDFEAKLSPFGDKNLESSKLDKIENANIKDKAVYVKAVFGDLEKQTAYNGIVSFEQLNAEGEVPSNVEVEAGEESATVTATSPIKTIEPFELTKLKGGTNGEPPATWADKLDKFAHEGGYYIVPLSSKQSVHAEVASFVKERSDAGEPMRAIVGGGFNESKEQLFGRQASLSNPRVSLVANSGTFVMDDGRKNHVPAYMVAVALGGLASGLEIGESITFKPLRVSSLDQIYESIDLDELNENGIISIEFVRNRTNTFFRIVDDVTTFNDKSDPVKAEMAVGEANDFLVSELKVQLEDQFIGTRTINTSASIIKDFIQSYLGRKKRDNEIQDFPAEDVQVIVEGNEARISMTVYPIRSFKKISVSLVYKQQTLQA

Entity 5 polymer

描述 description	Baseplate protein
分子量 formula_weight	21588.1 kDa
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	K,L,M,N,O,P

MAIATYNSHVELAKYLVSKADSVYLTIGKSTPWSNETNPPQPDENATVLQEVIGYKKATKVTLVRPSKSPEDDNKNLISYGNKSWVEVTPENAKAEGAKWVYLESSIVGDELPLGTYRQVGFVMDLVAKSGISKFNLVPSEVESTGTLLFFDNKQFQNRSEQTTAKERFIVEVDPNSSSVDKLAAALEHHHHHH

来源 Source

来源生物 organism	Staphylococcus phage 812
NCBI 分类编号 ncbi_taxonomy_id	307898
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 6 polymer

描述 description	DUF4815 domain-containing protein
分子量 formula_weight	129263.0 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	Q,R,S,T,U,V

MAINFKGSPYLDRFDPSKDRTKVLFNPDRPLQQAELNEMQSIDQYYLKNLGDAIFKDGDKQSGLGFTLSEDNVLTVNPGYVYINGKIRYYDNDDSVKITGVGKETIGIKLTERIVTPDEDASLLDQTSGVPSYFSKGADRLEEKMSLTVNDPTSATIYTFMDGDLYIQSTNAEMDKINKVLAERTYDESGSYKVNGFELFSEGNAEDDDHVSVVVDAGKAYVKGFKVDKPVSTRISVPKSYDLGTAENESTIFNKSNNSISLANSPVKEIRRVTGQVLIEKERVTRGAQGDGQDFLSNNTAFEIVKVWTETSPGVTTKEYKQGEDFRLTDGQTIDWSPQGQEPSGGTSYYVSYKYNKRMEAGKDYEVTTQGEGLSKKWYINFTPSNGAKPIDQTVVLVDYTYYLARKDSVFINKYGDIAILPGEPNIMRLVTPPLNTDPENLQLGTVTVLPDSDEAVCISFAITRLSMEDLQKVKTRVDNLEYNQAVNALDDGAMEGQNPLTLRSVFSEGFISLDKADITHPDFGIVFSFEDAEATLAYTEAVNQPKIIPGDTTAHIWGRLISAPFTEERTIYQGQASETLNVNPYNIPNKQGVLKLTPSEDNWIDTENVTITEQKTKKVTMKRFWRHNESYYGETEHYLYSNLQLDAGQKWKGETYAYDREHGRTGTLLESGGQRTLEEMIEFIRIRDVSFEVKGLNPNDNNLYLLFDGVRCAITPATGYRKGSEDGTIMTDAKGTAKGKFTIPAGIRCGNREVTLKNANSTSATTYTAQGRKKTAQDIIIRTRVTVNLVDPLAQSFQYDENRTISSLGLYFASKGDKQSNVVIQIRGMGDQGYPNKTIYAETVMNADDIKVSNNASAETRVYFDDPMMAEGGKEYAIVIITENSDYTMWVGTRTKPKIDKPNEVISGNPYLQGVLFSSSNASTWTPHQNSDLKFGIYTSKFNETATIEFEPIKDVSADRIVLMSTYLTPERTGCTWEMKLILDDMASSTTFDQLKWEPIGNYQDLDVLGLARQVKLRATFESNRYISPLMSSSDLTFTTFLTELTGSYVGRAIDMTEAPYNTVRFSYEAFLPKGTKVVPKYSADDGKTWKTFTKSPTTTRANNEFTRYVIDEKVKSSGTNTKLQVRLDLSTENSFLRPRVRRLMVTTRDE

Entity 7 polymer

描述 description	Receptor binding protein
分子量 formula_weight	50474.1 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	W,X,Y

MALNFTTITENNVIRDLTTQVNNIGEELTKERNIFDITDDLVYNFNKSQKIKLTDDKGLTKSYGNITALRDIKEPGYYYIGARTLATLLDRPDMESLDVVLHVVPLDTSSKVVQHLYTLSTNNNQIKMLYRFVSGNSSSEWQFIQGLPSNKNAVISGTNILDIASPGVYFVMGMTGGMPSGVSSGFLDLSVDANDNRLARLTDAETGKEYTSIKKPTGTYTAWKKEFEPKDMEKYLLSSIRDDGSASFPLLVYTSDSKTFQQAIIDHIDRTGQTTFTFYVQGGVSGSPMSNSCRGLFMSDTPNTSSLHGVYNAIGTDGRNVTGSVVGSNWTSPKTSPSHKELWTGAQSFLSTGTTKNLSDDISNYSYVEVYTTHKTTEKTKGNDNTGTICHKFYLDGSGTYVCSGTFVSGDRTDTKPPITEFYRVGVSFKGSTWTLVDSAVQNSKTQYVTRIIGINMP

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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	4.40 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	25203

fit	/app/data/saxs_computation/eu/9eui/9eui.fit
pddf	/app/data/pr_computation/eu/9eui/9eui.pr.out
profile	/app/data/saxs_computation/eu/9eui/9eui.dat

Cryo-EM structure of Staphylococcus aureus bacteriophage phi812 baseplate in the post-contraction state - complete

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 (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

来源 Source

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)