SAXSdb — 9c1l

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9c1l
沉积日期 deposition_date	2024-05-29
结构标题 title	Rhesus rotavirus (VP1 structure at 2.65 Angstrom resolution)
关键词 keywords	Rotavirus, non-enveloped virus, viral particle, 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	91.50 Å
回转半径 Rg (电子) rg_electron	91.79 Å
零角强度 I(0) i0	14939000000.00
分子量 molecular_weight	1057300.0 kDa
排除体积 excluded_volume	1330400 Å³
包络体积 envelope_volume	2024000 Å³
水化壳体积 shell_volume	190470 Å³
包络直径 envelope_diameter	318.4 Å
壳层 Rg shell_rg	76.62 Å
包络 Rg envelope_rg	92.44 Å
形状 Rg shape_rg	91.87 Å
总 Rg total_rg	91.35 Å
总原子数 total_atoms	149101
残基数 n_residues	9103
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	246.7 Å
Rg (实空间) rg_real	87.51 Å
Rg 误差 (实空间) rg_real_error	0.82 Å
I(0) (实空间) i0_real	1.4310e+10
I(0) 误差 (实空间) i0_real_error	2.8170e+08
Rg (倒空间) rg_reciprocal	89.60 Å
I(0) (倒空间) i0_reciprocal	14850000000.0000
解质量估计 total_estimate	0.9162
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	101.6 Å
偏度 Skewness skewness	0.233
峰度 Kurtosis kurtosis	-0.618
角度范围 angular_range	— – 0.0850 Å⁻¹
当前正则化参数 α current_alpha	0.8748
最高正则化参数 α highest_alpha	418500000.0000
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: 0.999; Stabil: 0.972; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; 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 (2)

Entity 1 polymer

描述 description	Inner capsid protein VP2
分子量 formula_weight	103426.0 kDa
来源方法 src_method	man
拷贝数 entity_count	10

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J
原子数 atom_count	149101

MAYRKRGARRETNLKQDDRMQEKEENKNVNTNSENKNATKPQLSEKVLSQKEEVITDNQEEIKIADEVKKSNKEESKQLLEVLKTKEEHQKEVQYEILQKTIPTFEPKESILKKLEDIKPEQVKKQTKLFRIFEPRQLPVYRANGEKELRNRWYWKLKRDTLPDGDYDVREYFLNLYDQVLTEMPDYLLLKDMAVENKNSRDAGKVVDSETAAICDAIFQDEETEGVVRRFIAEMRQRVQADRNVVNYPSILHPIDHAFNEYFLQHQLVEPLNNDIIFNYIPERIRNDVNYILNMDRNLPSTARYIRPNLLQDRLNLHDNFESLWDTITTSNYILARSVVPDLKELVSTEAQIQKMSQDLQLEALTIQSETQFLTGINSQAANDCFKTLIAAMLSQRTMSLDFVTTNYMSLISGMWLLTVVPNDMFIRESLVACQLAIINTIIYPAFGMQRMHYRNGDPQTPFQIAEQQIQNFQVANWLHFVNNNQFRQVVIDGVLNQVLNDNIRNGHVVNQLMEALMQLSRQQFPTMPVDYKRSIQRGILLLSNRLGQLVDLTRLLAYNYETLMACITMNMQHVQTLTTEKLQLTSVTSLCMLIGNATVIPSPQTLFHYYNVNVNFHSNYNERINDAVAIITAANRLNLYQKKMKSIVEDFLKRLQIFDISRVPDDQMYRLRDRLRLLPVEIRRLDIFNLILMNMEQIERASDKIAQGVIIAYRDMQLERDEMYGYVNIARNLDGFQQINLEELMRTGDYAQITNMLLNNQPVALVGALPFITDSSVISLVAKLDATVFAQIVKLRKVDTLKPILYKINSDSNDFYLVANYDWVPTSTTKVYKQIPQQFDFRASMHMLTSNLTFTVYSDLLAFVSADTVEPINAVAFDNMRIMNEL

来源 Source

来源生物 organism	Simian rotavirus A strain RRV
NCBI 分类编号 ncbi_taxonomy_id	444185
宿主生物 host_organism	Simian rotavirus A strain RRV

Entity 2 polymer

描述 description	RNA-directed RNA polymerase
分子量 formula_weight	125276.3 kDa
EC 编号 ec_number	2.7.7.48
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

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

MGKYNLILSEYLSFIYNSQSAVQIPIYYSSNSELENRCIEFHSKCLENSKNGLSLKKLFVEYSDVIENATLLSILSYSYDKYNAVERKLVKYAKGKPLEADLTVNELDYENNKITSELFPTAEEYTDLLMDPAILTSLSSNLNAVMFWLEKHENDVAEKLKIYKRRLDLFTIVASTVNKYGVPRHNAKYRYEYEVMKDKPYYLVTWANSSIEMLMSVFSHEDYLIARELIVLSYSNRSTLAKLVSSPMSILVALVDINGTFITNEELELEFSNKYVRAIVPDQTFDELKQMLDNMRKAGLTDIPKMIQDWLVDCSIEKFPLMAKIYSWSFHVGFRKQKMLDAALDQLKTEYTEDVDDEMYREYTMLIRDEVVKMLEEPVKHDDHLLQDSELAGLLSMSSASNGESRQLKFGRKTIFSTKKNMHVMDDMANGRYTPGIIPPVNVDKPIPLGRRDVPGRRTRIIFILPYEYFIAQHAVVEKMLIYAKHTREYAEFYSQSNQLLSYGDVTRFLSNNSMVLYTDVSQWDSSQHNTQPFRKGIIMGLDMLANMTNDARVIQTLNLYKQTQINLMDSYVQIPDGNVIKKIQYGAVASGEKQTKAANSIANLALIKTVLSRISNKYSFATKIIRVDGDDNYAVLQFNTEVTKQMVQDVSNDVRETYARMNTKVKALVSTVGIEIAKRYIAGGKIFFRAGINLLNNEKKGQSTQWDQAAVLYSNYIVNRLRGFETDREFILTKIMQMTSVAITGSLRLFPSERVLTTNSTFKVFDSEDFIIEYGTTDDEVYIQRAFMSLSSQKSGIADEIAASSTFKNYVSRLSEQLLFSKNNIVSRGIALTEKAKLNSYAPISLEKRRAQISALLTMLQKPVTFKSSKITINDILRDIKPFFTVNEAHLPIQYQKFMPTLPDNVQYIIQCIGSRTYQIEDDGSKSAISRLISKYSVYKPSIEELYKVISLHENEIQLYLISLGIPKIDADTYVGSKIYSQDKYRILESYVYNLLSINYGCYQLFDFNSPDLEKLIRIPFKGKIPAVTFILHLYAKLEVINHAIKNGSWISLFCNYPKSEMIKLWKKMWNITSLRSPYTNANFFQD

来源 Source

来源生物 organism	Simian rotavirus A strain RRV
NCBI 分类编号 ncbi_taxonomy_id	444185
宿主生物 host_organism	Simian rotavirus A strain RRV

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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	2.65 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	469892

fit	/app/data/saxs_computation/c1/9c1l/9c1l.fit
pddf	/app/data/pr_computation/c1/9c1l/9c1l.pr.out
profile	/app/data/saxs_computation/c1/9c1l/9c1l.dat

Rhesus rotavirus (VP1 structure at 2.65 Angstrom resolution)

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 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)