9nh0

In situ cryo-EM structure of PR and DotA-IcmX of the Legionella Dot/Icm T4SS machine at C1 symmetry

Method: ELECTRON MICROSCOPY D_max: 280.4 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	9nh0
沉积日期 deposition_date	2025-02-23
结构标题 title	In situ cryo-EM structure of PR and DotA-IcmX of the Legionella Dot/Icm T4SS machine at C1 symmetry
关键词 keywords	Type IVB Dot/Icm Secretion Machine, PROTEIN TRANSPORT; PROTEIN TRANSPORT
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	74.31 Å
回转半径 Rg (电子) rg_electron	74.25 Å
零角强度 I(0) i0	23534200000.00
分子量 molecular_weight	1336400.0 kDa
排除体积 excluded_volume	1684000 Å³
包络体积 envelope_volume	2422200 Å³
水化壳体积 shell_volume	257510 Å³
包络直径 envelope_diameter	284.7 Å
壳层 Rg shell_rg	83.61 Å
包络 Rg envelope_rg	73.14 Å
形状 Rg shape_rg	74.23 Å
总 Rg total_rg	74.40 Å
总原子数 total_atoms	94015
残基数 n_residues	12213
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	280.4 Å
Rg (实空间) rg_real	78.41 Å
Rg 误差 (实空间) rg_real_error	1.88 Å
I(0) (实空间) i0_real	2.3650e+10
I(0) 误差 (实空间) i0_real_error	4.7260e+08
Rg (倒空间) rg_reciprocal	75.02 Å
I(0) (倒空间) i0_reciprocal	23580000000.0000
解质量估计 total_estimate	0.8690
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	93.5 Å
偏度 Skewness skewness	0.631
峰度 Kurtosis kurtosis	0.632
角度范围 angular_range	— – 0.1050 Å⁻¹
当前正则化参数 α current_alpha	0.9569
最高正则化参数 α highest_alpha	2538000000.0000
实空间数据点数 n_real_points	22
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.632; Stabil: 0.861; Sysdev: 1.000; Positv: 1.000; Valcen: 0.954; 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 (9)

Entity 1 polymer

描述 description	unknown peptide E
分子量 formula_weight	1679.8 kDa
来源方法 src_method	nat
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Aa,Ag,Am,As,Ay,Be,Bk,Bq,Bw,Cc,Ci,Co,Cu,Da,Dg,Dm,Ds,Dy
原子数 atom_count	94015

CTDAALAALEYHKSNA

Entity 2 polymer

描述 description	unknown peptide F
分子量 formula_weight	910.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Ab,Ah,An,At,Az,Bf,Bl,Br,Bx,Cd,Cj,Cp,Cv,Db,Dh,Dn,Dt,Dz

CVSMIGGSR

Entity 3 polymer

描述 description	unknown peptide G
分子量 formula_weight	1776.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Ac,Ai,Ao,Au,Ba,Bg,Bm,Bs,By,Ce,Ck,Cq,Cw,Dc,Di,Do,Du,Ea

RVSIGGTVYTAKKYDD

Entity 4 polymer

描述 description	unknown peptide H
分子量 formula_weight	505.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Ad,Aj,Ap,Av,Bb,Bh,Bn,Bt,Bz,Cf,Cl,Cr,Cx,Dd,Dj,Dp,Dv,Eb

PFGAD

Entity 5 polymer

描述 description	IcmG (DotF)
分子量 formula_weight	29730.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Ae,Ak,Aq,Aw,Bc,Bi,Bo,Bu,Ca,Cg,Cm,Cs,Cy,De,Dk,Dq,Dw,Ec

MMAEHDQNNDEYKFAELDSYDMDQAGESDLDSEASYQSGKEGLTKKKDIKRNALIAIGAVVFIMVMYKIIGWMFFSDKSSQVTSKPAIPPVTQVATPQPVQTIPTTTPIQQVQPTTIIEDDPDLKKKVSAIEMTQQSLRSEVNALSEQINAVNNNIKNLNAQIVNLNQIIGNMSNQIARQSEVINVLMARTTPKKVVKVSRPIVQARIIYYIQAVIPGRAWLIGSNGSTLTVREGSKIPGYGMVKLIDSLQGRILTSSGQVIKFSQEDS

Entity 6 polymer

描述 description	IcmK (DotH)
分子量 formula_weight	38958.9 kDa
来源方法 src_method	nat
拷贝数 entity_count	18

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Af,Al,Ar,Ax,Bd,Bj,Bp,Bv,Cb,Ch,Cn,Ct,Cz,Df,Dl,Dr,Dx,Ed

MMKKYDQLCKYCLVIGLTFSMSCSIYAADQSDDAQQALQQLRMLQQKLSQNPSPDAQSGAGDGGDNAASDSTQQPNQSGQANAPAANQTATAGGDGQIISQDDAEVIDKKAFKDMTRNLYPLNPEQVVKLKQIYETSEYAKAATPGTPPKPTATSQFVNLSPGSTPPVIRLSQGFVSSLVFLDSTGAPWPIAAYDLGDPSSFNIQWDKTSNTLMIQATKLYNYGNLAVRLRGLNTPVMLTLIPGQKAVDYRVDLRVQGYGPNAKSMPTEEGIPPSANDLLLHVLEGVPPPGSRRLVVSGGDARAWLSNEKMYVRTNLTILSPGWLASMTSADGTHAYEMQKSPVLLVSWHGKVMQLKVEGL

Entity 7 polymer

描述 description	IcmE (DotG)
分子量 formula_weight	107911.9 kDa
来源方法 src_method	nat
拷贝数 entity_count	23

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Ee,Ef,Eg,Eh,Ei,Ej,Ek,El,Em,En,Eo,Ep,Eq,Er,Es,Et,Eu,Ev,Fg,Fh,Fi,Fj,Fk

MASKKENLKSLFSNTRTRVIIIFTAALLIIAVVIGFFKIRGATTGSIAAAEVSTVPGGIQSIPGVLDPTAQYAKLQEEQNITQAQVAEKTGGSAIPTIIRTQALGEGVGVIGSQSGVGFAALAQEELGGPQRSLWIQELQDGSCSKSVITKVVNQGAQLTDLKAACSCVQLKDSGYGLQELEQVCECKELKSAGYNARQLKEAGYSAGRLRNCGFDACELRNAGFTAQEMKDGGFSDGELKGAGFSDAEIAKASGLPDGITADDVRKAGCGAAALAKLRQAGVSASAIRKISGCTAEQLKAAGYTAKELKDAGFSAADLRRAGFSAAELKDAGFTARDLLNAGFTPADLAKAGFSDAQIKAAQAELPPGITPQDVKNAGCDVEALKKEREAGVSAALIRQYAGCSAQALKAAGFTDADLANAGFTPAQISAATPLSDAEIKAAGCDPDKLKKLFSAGVSAKRIKELNGCSAEALKAAGYDAQSLLAAGFTPQELLAAGFTPKQLEDAGLNPVSIIADGRVADCSVESLKKARAAGVSALTIKQTLGCSAAALKAAGYTAKELKDAGFTAAELKAAGFSAKELKDAGFTAKELRDAGFSAQELKDVGFSAKDLKDAGFSAAELKAAGFTAAQLKAAGFSAKDLKDAGFSAAELKAAGFSAKELKDAGFSASDLKNAGFSAKELKDAGFSASDLKSAGFSASELKNAGYSADELKKAGYTSAELRNAGFSPQESAVAGLQGPDLQQLDSSITGIPSIPGATPRPTTSDAASSAEQLQAILQKQNEQLAEQKYQQEIQQRTSDMLTAATQLVQDWKQVETQVYTEGTEETKTSGGESAVPGTGTGTGSNNQPVDQGAVSAQNQAIIKTGDIMFAVLDTSVNSDEPGPILATIVTGKLKGSKLIGSFNLPSNADKMVITFNTMSIPGAEKTISISAYAIDPNTARTALASRTNHHYLMRYGSLFASSFLQGFGNAFQSANTTITIGGTGGGNNITVANGVGRSTLENAVIGLATVGKAWSQQAQQLFNTPTTVEVYSGTGLGILFTQDVTTI

Entity 8 polymer

描述 description	IcmX (IcmY)
分子量 formula_weight	50712.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	5

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Ew,Ex,Ey,Ez,Fa

MKVLPKLALANLVCFTTLSVFAQPADPSGQQTSTNTSNLVTYLTNLGKYLGYDITQSSKAPNPPYSQLFNSNVVQLVQNYAYNTFLGAIPVDAMSQSLMNFVTDKVQGNSLINNLANTTFKYQNFSAPSSGADGKITANGLIDQSTASAQTPTTPGIFSAPQITTSGTYLNDPVSQAVFNILGTPDYSFCMDNEQKNWLPNCNLMYQNLVMQNVIGTLPPAQTSGSTPAFYSYKYNQPLISQLNSNSLIAPLLMDTSASQSGQDSGLTAKSQAQQALNFIRYASAQVTPPSLPKLSAYSELWNQATAKPNSAGYNEVQQKQAAATLSSYFNNLRVYAAQTSVGVSNLYYILSKRLPQNMSADQSNANITSQALNEFNMATRRLFDPTASNTPGQPNQQWIKQINDASPATVQKEIAILLAEINYQMYLDRQIQERILLTNSIMLLQNLKAAQPTADFSSQGSPSEQ

Entity 9 polymer

描述 description	DotA
分子量 formula_weight	113235.6 kDa
来源方法 src_method	nat
拷贝数 entity_count	5

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	Fb,Fc,Fd,Fe,Ff

MNKLAITVLLCFFPALALAENGALSFAPPASDLSVVFLGNLFGVVDGVLHGTGSQIMGNMFGVFNSAVLALGGIIIMYTLMVSTMNTAHEGQMLGQKWSSIWIPLRSTFGLALLIPKASGYCMMQVFFMWVIVQGVGAADKIWEAALSYLNRGGVIIQAQADPTKSLQAAGSSSSGVAKGALTILGGQICMLGLQKQLQAQRDLYLSQSKSPPCGGNPTPEMNTFCRTAIPDFISTVNFVKKQNDDTPKDLTANQPASFELDMPNFDKSSPFYFLNGICGTVKWNNISALNSTNQSDNKGLVTVGGAGSNSSMGANSLNITSSQLQTARLSRAIAIQQMYVTLSTVAQVMVNNDPAFSTTTSTGNSKNDFSAIAKQQFGVPYKSSGEVCTEYQQVCQTWGSVPSSTGSTTGVLFNGTEFLGAINDYNGIMMPTLNLIRQATSKEFDKKSRDFIAEANAKGWIMAGSYFFDLVKLNGSATEFADQFDTGTGLDKSSFDPTQLTKPFGKTCQDPYSLLCTWFQNKSDKLIQIQSLIDGVPALGQDGVKQPDLSDNPQRQSVSGPLSSTVYGFVNNSMMVQLPGQPGIKPLTFANLINFKVDTSLYYMKHQDFDCGRVKILFFSFCLGRMMGDLFYNYVFRYVYNFFLAIFGEMINSIVMAFLMIPLQGMKDIFIVGVQTLTQPGINPIVALANMGTMYINFSGTLWLTLLNMAVVSSLIPLFGIFIFALIMMAMPLLMAWIGTMVSIGFVTAYYIPVLPYMIFTFGSFAWLIAVIEAMVAAPIVALGVTHPEGNEAFGKGEFAIMILVNVFLRPSLMIIGYIAAIALSYVGVWILNAGFDHAISYIQSDQGIETWEKGTSSNDAKRFFQSAGNWTGAKMDTSQWDNFKDKLTGDYQSTALEGGYTGWAGVYAFFFSILIYTSMYLIIVQKAFTLIAHLPDKVLRWIGGSPESFGQETMQWGEEAKGRVEKAGEATYGAEKAIGDKLGAKGQEMLGKLGPQAKKISENAGDVSGKGKNSGGSQTGPSSKPDTGQQLGGSDSGTPTSTPPPE

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7. 引用文献 (2)

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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	4.63 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	37503

fit	/app/data/saxs_computation/nh/9nh0/9nh0.fit
pddf	/app/data/pr_computation/nh/9nh0/9nh0.pr.out
profile	/app/data/saxs_computation/nh/9nh0/9nh0.dat

In situ cryo-EM structure of PR and DotA-IcmX of the Legionella Dot/Icm T4SS machine at C1 symmetry

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 (9)

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

Entity 8 polymer

聚合体 Polymer

Entity 9 polymer

聚合体 Polymer

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)