8r2m

;Mycobacterium smegnatis RNA polymerase transcription initiation complex with SigmaA, RbpA, HelD N-terminal domain and an upstream-fork promoter fragment; State III conformation ;

Method: ELECTRON MICROSCOPY D_max: 179.7 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	8r2m
沉积日期 deposition_date	2023-11-06
结构标题 title	;Mycobacterium smegnatis RNA polymerase transcription initiation complex with SigmaA, RbpA, HelD N-terminal domain and an upstream-fork promoter fragment; State III conformation ;
关键词 keywords	HelD, RNA polymerase, transcription initiation, Mycobacteria, TRANSCRIPTION, rifampicin resistance; TRANSCRIPTION
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	52.14 Å
回转半径 Rg (电子) rg_electron	51.11 Å
零角强度 I(0) i0	2515010000.00
分子量 molecular_weight	403090.0 kDa
排除体积 excluded_volume	498600 Å³
包络体积 envelope_volume	752120 Å³
水化壳体积 shell_volume	118000 Å³
包络直径 envelope_diameter	194.5 Å
壳层 Rg shell_rg	57.98 Å
包络 Rg envelope_rg	51.00 Å
形状 Rg shape_rg	51.09 Å
总 Rg total_rg	51.38 Å
总原子数 total_atoms	28276
残基数 n_residues	3537
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	179.7 Å
Rg (实空间) rg_real	52.02 Å
Rg 误差 (实空间) rg_real_error	1.34 Å
I(0) (实空间) i0_real	2.5150e+09
I(0) 误差 (实空间) i0_real_error	5.0190e+07
Rg (倒空间) rg_reciprocal	52.24 Å
I(0) (倒空间) i0_reciprocal	2516000000.0000
解质量估计 total_estimate	0.8566
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	65.9 Å
偏度 Skewness skewness	0.315
峰度 Kurtosis kurtosis	-0.112
角度范围 angular_range	— – 0.1500 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	336400000.0000
实空间数据点数 n_real_points	31
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.749; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.919

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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 (11)

Entity 1 polymer

描述 description	DNA-directed RNA polymerase subunit alpha
分子量 formula_weight	37959.4 kDa
EC 编号 ec_number	2.7.7.6
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	28276

MLISQRPTLSEETVAENRSRFVIEPLEPGFGYTLGNSLRRTLLSSIPGAAVTSIRIDGVLHEFTTVPGVKEDVTDIILNLKGLVVSSDDDEPVTMYLRKQGPGVVTAGDIVPPAGVTVHNPDMHIATLNDKGKLEVELVVERGRGYVPAVQNKASGAEIGRIPVDSIYSPVLKVTYKVEATRVEQRTDFDKLIIDVETKNSISPRDALASAGGTLVELFGLARELNADSEHIEIGPSPAEADHIASFALPIDDLDLTVRSYNCLKREGVHTVGELVARTESDLLDIRNFGQKSIDEVKIKLHQLGLSLKDSPATFDPSEVAGYDAATGTWTSDAGYDLDDNQDYAETEQL

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	DNA-directed RNA polymerase subunit beta
分子量 formula_weight	128680.1 kDa
EC 编号 ec_number	2.7.7.6
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	C

MLEGCILAVSSQSKSNAITNNSVPGAPNRVSFAKLREPLEVPGLLDVQTDSFEWLVGSDRWRQAAIDRGEENPVGGLEEVLAELSPIEDFSGSMSLSFSDPRFDEVKASVDECKDKDMTYAAPLFVTAEFINNNTGEIKSQTVFMGDFPMMTEKGTFIINGTERVVVSQLVRSPGVYFDETIDKSTEKTLHSVKVIPGRGAWLEFDVDKRDTVGVRIDRKRRQPVTVLLKALGWTNEQIVERFGFSEIMMGTLEKDTTSGTDEALLDIYRKLRPGEPPTKESAQTLLENLFFKEKRYDLARVGRYKVNKKLGLNAGKPITSSTLTEEDVVATIEYLVRLHEGQTSMTVPGGVEVPVEVDDIDHFGNRRLRTVGELIQNQIRVGLSRMERVVRERMTTQDVEAITPQTLINIRPVVAAIKEFFGTSQLSQFMDQNNPLSGLTHKRRLSALGPGGLSRERAGLEVRDVHPSHYGRMCPIETPEGPNIGLIGSLSVYARVNPFGFIETPYRKVENGVVTDQIDYLTADEEDRHVVAQANSPTDENGRFTEDRVMVRKKGGEVEFVSADQVDYMDVSPRQMVSVATAMIPFLEHDDANRALMGANMQRQAVPLVRSEAPLVGTGMELRAAIDAGDVVVADKTGVIEEVSADYITVMADDGTRQSYRLRKFARSNHGTCANQRPIVDAGQRVEAGQVIADGPCTQNGEMALGKNLLVAIMPWEGHNYEDAIILSNRLVEEDVLTSIHIEEHEIDARDTKLGAEEITRDIPNVSDEVLADLDERGIVRIGAEVRDGDILVGKVTPKGETELTPEERLLRAIFGEKAREVRDTSLKVPHGESGKVIGIRVFSREDDDELPAGVNELVRVYVAQKRKISDGDKLAGRHGNKGVIGKILPVEDMPFLPDGTPVDIILNTHGVPRRMNIGQILETHLGWVAKAGWNIDVAAGVPDWASKLPEELYSAPADSTVATPVFDGAQEGELAGLLGSTLPNRDGEVMVDADGKSTLFDGRSGEPFPYPVTVGYMYILKLHHLVDDKIHARSTGPYSMITQQPLGGKAQFGGQRFGEMECWAMQAYGAAYTLQELLTIKSDDTVGRVKVYEAIVKGENIPEPGIPESFKVLLKELQSLCLNVEVLSSDGAAIEMRDGDDEDLERAAANLGINLSRNESASVEDLA

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 3 polymer

描述 description	;DNA-directed RNA polymerase subunit beta' ;
分子量 formula_weight	146712.9 kDa
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	D

MLDVNFFDELRIGLATADDIRNWSYGEVKKPETINYRTLKPEKDGLFCEKIFGPTRDWECYCGKYKRVRFKGIICERCGVEVTRAKVRRERMGHIELAAPVTHIWYFKGVPSRLGYLLDLAPKDLEKIIYFAAYVITSVDDEMRHNELSTLEAEMAVEKKAVEDQRDADLEARAQKLEADLAELEAEGAKSDVRRKVRDSGEREMRQLRDRAQRELDRLDEIWNTFTKLAPKQLIVDEVLYRELQDRYGEYFTGAMGAESIKKLIENFDIDAEAESLREVIRSGKGQKKLRALKRLKVVAAFQQSGNSPMGMVLDAVPVIPPELRPMVQLDGGRFATSDLNDLYRRVINRNNRLKRLIDLGAPEIIVNNEKRMLQESVDALFDNGRRGRPVTGPGNRPLKSLSDLLKGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKLMALELFKPFVMKRLVDLNHAQNIKSAKRMVERQRPQVWDVLEEVIAEHPVLLNRAPTLHRLGIQAFEPQLVEGKAIQLHPLVCEAFNADFDGDQMAVHLPLSAEAQAEARILMLSSNNILSPASGKPLAMPRLDMVTGLYYLTTLVEGATGEYQAATKDAPEQGVYSSPAEAIMAMDRGALSVRAKIKVRLTELRPPTDLEAQLFENGWKPGDAWTAETTLGRVMFNELLPKSYPFVNEQMHKKVQARIINDLAERFPMIVVAQTVDKLKDAGFYWATRSGVTVSMADVLVPPQKQEILERHEAEADAIERKYQRGALNHTERNESLVKIWQDATEEVGKALEEFYPADNPIITIVKSGATGNLTQTRTLAGMKGLVTNPKGEFIPRPIKSSFREGLTVLEYFINTHGARKGLADTALRTADSGYLTRRLVDVSQDVIVREHDCETERGINVTLAERGPDGTLIRDAHVETSAFARTLATDAVDANGNVIIERGHDLGDPAIDALLAAGITTVKVRSVLTCTSATGVCAMCYGRSMATGKLVDIGEAVGIVAAQSIGEPGTQLTMRTFHQGGVTGGADIVGGLPRVQELFEARVPRNKAPIADVAGRVRLEESDKFFKITIVPDDGGEEVVYDKLSKRQRLRVITHEDGTEGVLSDGDHVEVGDQLMEGAADPHEVLRVQGPREVQIHLVKEVQEVYRAQGVSIHDKHIEVIVRQMLRRVTIIDSGSTEFLPGSLTERAEFEAENRRVVAEGGEPAAGRPVLMGITKASLATDSWLSAASFQETTRVLTDAAINCRSDKLNGLKENVIIGKLIPAGTGISRYRNIQVQPTEEARAAAYTIPSYEDQYYSPDFGQATGAAVPLDDYGYSDYR

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 4 polymer

描述 description	RNA polymerase sigma factor SigA
分子量 formula_weight	51573.6 kDa
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	F

MAATKASPATEEPVKRTATKTPAKKAPAKRAAKSAAAKAGGKAPAKKAPAKRAAKGTAAKPEDGVTDDLEVTDDLEAEPGEDLDVEDTDLELDDLDSDDDTAVEDEEEEADAATPAVATAKAADDDIDEPSEKDKASGDFVWDEEESEALRQARKDAELTASADSVRAYLKQIGKVALLNAEEEVELAKRIEAGLYATQKLAELAEKGEKLPVQQRRDMQWICRDGDRAKNHLLEANLRLVVSLAKRYTGRGMAFLDLIQEGNLGLIRAVEKFDYTKGYKFSTYATWWIRQAITRAMADQARTIRIPVHMVEVINKLGRIQRELLQDLGREPTPEELAKEMDITPEKVLEIQQYAREPISLDQTIGDEGDSQLGDFIEDSEAVVAVDAVSFTLLQDQLQSVLETLSEREAGVVRLRFGLTDGQPRTLDEIGQVYGVTRERIRQIESKTMSKLRHPSRSQVLRDYLD

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 5 polymer

描述 description	Helicase
分子量 formula_weight	81298.1 kDa
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	H

MSGRDYEDELQSERDYVAGLYARLDAERAQSQRRYAAALREHGGTAVERDAEVRALAKDIARLNVADNGLCFGRLDTLDDARLYIGRLGIFDRDNDFEPLLLDWRAPMARPFYVATAANPENMRRRRQFHTLGRKVVDFTDEILGRPTGAEHDATNDAALLAAVNAPRGEGMRDIVATIQAEQDQVIRLDHTGVLVIEGGPGTGKTVVALHRVAYLLYTYRKQMERHGVLVVGPTPAFLDHIGRVLPSLGESDAVFMTPGDFVPGLHVTAEDTPEAAEVKGSLKILDVLKAAVADRQELPSEPIPIDLSDVTMRIDAETAKWARDEARKTGLPHNEARAEFVDVVTYVVTERAVARIGRGWLTRDDKHAWEKMRADVVGELEDHEQFNAALDALWPILTPEDVLAQLYTSHERLRAAGAPECLWRADGEAWTVSDVPLLDELVDLLGRNKAADEAAERERREEEAYAAGVLDLMVDREDLMDDEDHLLAQDLIDAEELADRFKEQDNRELSERAAADREWTYGHVVVDEAQELSEMDWRLLMRRCPRRSFTIVGDLAQRRSPAGARSWGAMLDSYVPGRWVYKSLSVNYRTPAEIMAVAAAVLAEFAPDATPPDSVRACGVAPWARQVTDDDIASAIAEFVSEEAGREGTSVVIGPPDVPGTVPPSETKGLEFDAVLVVEPERILADGPRGAAELYVALTRATQRLGVLYRDALPQALAGLAEGDAAATVEQRTSA

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 6 polymer

描述 description	RNA polymerase-binding protein RbpA
分子量 formula_weight	13078.7 kDa
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	J

MADRVLRGSRLGAVSYETDRNHDLAPRQVARYRTDNGEEFDVPFADDAEIPGTWLCRNGLEGTLIEGDVPEPKKVKPPRTHWDMLLERRSVEELEELLKERLDLIKAKRRGTGS

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 7 polymer

描述 description	DNA 31-MER
分子量 formula_weight	9565.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	O

GCTTGACAAAAGTGTTAAATTGTGCTATACT

Entity 8 polymer

描述 description	DNA 22-MER
分子量 formula_weight	6685.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	P

CAATTTAACACTTTTGTCAAGC

Entity 9 polymer

描述 description	DNA-directed RNA polymerase subunit omega
分子量 formula_weight	11544.8 kDa
EC 编号 ec_number	2.7.7.6
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	E

MSTPHADAQLNAADDLGIDSSAASAYDTPLGITNPPIDELLSRASSKYALVIYAAKRARQINDYYNQLGDGILEYVGPLVEPGLQEKPLSIALREIHGDLLEHTEGE

来源 Source

来源生物 organism	Mycolicibacterium smegmatis MC2 155
NCBI 分类编号 ncbi_taxonomy_id	246196
宿主生物 host_organism	Escherichia coli

Entity 10 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 11 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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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	3.44 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	82798

fit	/app/data/saxs_computation/r2/8r2m/8r2m.fit
pddf	/app/data/pr_computation/r2/8r2m/8r2m.pr.out
profile	/app/data/saxs_computation/r2/8r2m/8r2m.dat

;Mycobacterium smegnatis RNA polymerase transcription initiation complex with SigmaA, RbpA, HelD N-terminal domain and an upstream-fork promoter fragment; State III conformation ;

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 (11)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 polymer

聚合体 Polymer

来源 Source

Entity 4 polymer

聚合体 Polymer

来源 Source

Entity 5 polymer

聚合体 Polymer

来源 Source

Entity 6 polymer

聚合体 Polymer

来源 Source

Entity 7 polymer

聚合体 Polymer

Entity 8 polymer

聚合体 Polymer

Entity 9 polymer

聚合体 Polymer

来源 Source

Entity 10 non-polymer

Entity 11 non-polymer

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)