SAXSdb — 1l9u

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1l9u
沉积日期 deposition_date	2002-03-26
结构标题 title	THERMUS AQUATICUS RNA POLYMERASE HOLOENZYME AT 4 A RESOLUTION
关键词 keywords	helix-turn-helix, coiled-coil, TRANSCRIPTION; TRANSCRIPTION
实验方法 method	X-RAY DIFFRACTION

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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	68.68 Å
回转半径 Rg (电子) rg_electron	69.05 Å
零角强度 I(0) i0	1351900000.00
分子量 molecular_weight	250730.0 kDa
排除体积 excluded_volume	287130 Å³
包络体积 envelope_volume	1026200 Å³
水化壳体积 shell_volume	129140 Å³
包络直径 envelope_diameter	252.9 Å
壳层 Rg shell_rg	66.11 Å
包络 Rg envelope_rg	65.52 Å
形状 Rg shape_rg	69.06 Å
总 Rg total_rg	68.95 Å
总原子数 total_atoms	18756
残基数 n_residues	6248
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	242.0 Å
Rg (实空间) rg_real	68.88 Å
Rg 误差 (实空间) rg_real_error	2.95 Å
I(0) (实空间) i0_real	1.3520e+09
I(0) 误差 (实空间) i0_real_error	3.3120e+07
Rg (倒空间) rg_reciprocal	67.91 Å
I(0) (倒空间) i0_reciprocal	1349000000.0000
解质量估计 total_estimate	0.8252
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	63.1 Å
偏度 Skewness skewness	0.493
峰度 Kurtosis kurtosis	-0.295
角度范围 angular_range	— – 0.1150 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1332000000.0000
实空间数据点数 n_real_points	24
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.703; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.634

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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	RNA POLYMERASE, ALPHA SUBUNIT
分子量 formula_weight	34830.9 kDa
EC 编号 ec_number	2.7.7.6
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	A,B,J,K
原子数 atom_count	18756

MLESKLKAPVFTATTQGDHYGEFVLEPLERGFGVTLGNPLRRILLSSIPGTAVTSVYIEDVLHEFSTIPGVKEDVVEIILNLKELVVRFLDPKMASTTLILRAEGPKEVRAGDFTPSADVEIMNPDLHIATLEEGGKLYMEVRVDRGVGYVPAERHGIKDRINAIPVDAIFSPVRRVAFQVEDTRLGQRTDLDKLTLRIWTDGSVTPLEALNQAVAILKEHLNYFANPEASLLPTPEVSKGEKRESAEEDLDLPLEELGLSTRVLHSLKEEGIESVRALLALNLKDLRNIPGIGERSLEEIRQALAKKGFTLKE

Entity 2 polymer

描述 description	RNA POLYMERASE, BETA SUBUNIT
分子量 formula_weight	124800.9 kDa
EC 编号 ec_number	2.7.7.6
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	C,L

MEIKRFGRIREVIPLPPLTEIQVESYKKALQADVPPEKRENVGIQAAFKETFPIEEGDKGKGGLVLDFLEYRIGDPPFSQDECREKDLTYQAPLYARLQLIHKDTGLIKEDEVFLGHLPLMTEDGSFIINGADRVIVSQIHRSPGVYFTPDPARPGRYIASIIPLPKRGPWIDLEVEASGVVTMKVNKRKFPLVLLLRVLGYDQETLVRELSAYGDLVQGLLDEAVLAMRPEEAMVRLFTLLRPGDPPKKDKALAYLFGLLADPKRYDLGEAGRYKAEEKLGVGLSGRTLVRFEDGEFKDEVFLPTLRYLFALTAGVPGHEVDDIDHLGNRRIRTVGELMADQFRVGLARLARGVRERMVMGSPDTLTPAKLVNSRPLEAALREFFSRSQLSQFKDETNPLSSLRHKRRISALGPGGLTRERAGFDVRDVHRTHYGRICPVETPEGANIGLITSLAAYARVDALGFIRTPYRRVKNGVVTEEVVYMTASEEDRYTIAQANTPLEGDRIATDRVVARRRGEPVIVAPEEVEFMDVSPKQVFSLNTNLIPFLEHDDANRALMGSNMQTQAVPLIRAQAPVVMTGLEERVVRDSLAALYAEEDGEVVKVDGTRIAVRYEDGRLVHPLRRYARSNQGTAFDQRPRVRVGQRVKKGDLLADGPASEEGFLALGQNVLVAIMPFDGYNFEDAIVISEELLKRDFYTSIHIERYEIEARDTKLGPERITRDIPHLSEAALRDLDEEGIVRIGAEVKPGDILVGRTSFKGEQEPSPEERLLRSIFGEKARDVKDTSLRVPPGEGGIVVGRLRLRRGDPGVELKPGVREVVRVFVAQKRKLQVGDKLANRHGNKGVVAKILPVEDMPHLPDGTPVDVILNPLGVPSRMNLGQILETHLGLAGYFLGQRYISPVFDGATEPEIKELLAEAFNLYFGKRQGEGFGVDKREKEVLARAEKLGLVSPGKSPEEQLKELFDLGKVVLYDGRTGEPFEGPIVVGQMFIMKLYHMVEDKMHARSTGPYSLITQQPLGGKAQFGGQRFGEMEVWALEAYGAAHTLQEMLTIKSDDIEGRNAAYQAIIKGEDVPEPSVPESFRVLVKELQALALDVQTLDEKDNPVDIFEGLASKR

Entity 3 polymer

描述 description	RNA POLYMERASE, BETA-PRIME SUBUNIT
分子量 formula_weight	171187.5 kDa
EC 编号 ec_number	2.7.7.6
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	D,M

MKKEVRKVRIALASPEKIRSWSYGEVEKPETINYRTLKPERDGLFDERIFGPIKDYECACGKYKRQRFEGKVCERCGVEVTRSIVRRYRMGHIELATPAAHIWFVKDVPSKIGTLLDLSATELEQVLYFNKYIVLDPKGAVLDGVPVEKRQLLTDEEYRELRYGKQETYPLPAGVDALVKDGEEVVKGQELAPGVVSRMDGVALYRFPRRVRVDYLRKERAALRIPLSAWVEKEAYRPGEVLAELSEPYLFRAEESGVVELKDLAEGHLIYLRQEEEVVARYFLPAGMTPLVVEGEIVEVGQPLAEGKGLLRLPRHMTAKEVEAEEEGDSVHLTLFLEWTEPKDYKVAPHMNVIVPEGAKVQAGEKIVAAIDPEEEVIAEAEGVVHLHEPASILVVKARVYPFEDDVEVTTGDRVAPGDVLADGGKVKSEIYGRVEVDLVRNVVRVVESYDIDARMGAEAIQELLKELDLEKLERELLEEMKHPSRARRAKARKRLEVVRAFLDSGNRPEWMILEAVPVLPPDLRPMVQVDGGRFATSDLNDLYRRLINRNNRLKKLLAQGAPEIIIRNEKRMLQEAVDAVIDNGRRGSPVTNPGSERPLRSLTDILSGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKRMALELFKPFLLKKMEEKAFAPNVKAARRMLERQRDIKDEVWDALEEVIHGKVVLLNRAPTLHRLGIQAFQPVLVEGQSIQLHPLVCEAFNADFDGDQMAVHVPLSSFAQAEARIQMLSAHNLLSPASGEPLAKPSRDIILGLYYITQVRKEKKGAGMAFATPEEALAAYERGEVALNAPIVVAGRETSVGRLKFVFANPDEALLAVAHGLLDLQDVVTVRYLGRRLETSPGRILFARIVGEAVGDEKVAQELIQMDVPQEKNSLKDLVYQAFLRLGMEKTARLLDALKYYGFTLSTTSGITIGIDDAVIPEEKQRYLEEADRKLRQIEQAYEMGFLTDRERYDQVIQLWTETTEKVTQAVFKNFEENYPFNPLYVMAQSGARGNPQQIRQLCGMRGLMQKPSGETFEVPVRSSFREGLTVLEYFISSHGARKGGADTALRTADSGYLTRKLVDVAHEIVVREADCGTTNYISVPLFQMDEVTRTLRLRKRSDIESGLYGRVLAREVEALGRRLEEGRYLSLEDVHFLIKAAEAGEVREVPVRSPLTCQTRYGVCQKCYGYDLSMARPVSIGEAVGVVAAESIGEPGTQLTMRTFHTGGVAVGTDITQGLPRVIELFEARRPKAKAVISEIDGVVRIEEGEDRLSVFVESEGFSKEYKLPKDARLLVKDGDYVEAGQPLTRGAIDPHQLLEAKGPEAVERYLVDEIQKVYRAQGVKLHDKHIEIVVRQMLKYVEVTDPGDSRLLEGQVLEKWDVEALNERLIAEGKVPVAWKPLLMGVTKSALSTKSWLSAASFQNTTHVLTEAAIAGKKDELIGLKENVILGRLIPAGTGSDFVRFTQVVDQRTLKAIEEARKEAVEAKEKEAPRRPVRREQPGKGL

Entity 4 polymer

描述 description	RNA POLYMERASE, OMEGA SUBUNIT
分子量 formula_weight	11642.4 kDa
EC 编号 ec_number	2.7.7.6
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	E,N

MAEPGIDKLFGMVDSKYRLTVVVAKRAQQLLRHRFKNTVLEPEERPKMRTLEGLYDDPNAVTWAMKELLTGRLFFGENLVPEDRLQKEMERLYPTEEEA

Entity 5 polymer

描述 description	SIGMA FACTOR SIGA
分子量 formula_weight	38186.7 kDa
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	H,Q

TSDPVRQYLHEIGQVPLLTLEEEIDLARKVEEGMEAIKKLSEATGLDQELIREVVRAKILGTARVEEVDGKLKSLPKELKRYLHIAREGEAARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEYKRRFKFSTYATWWIRQAINRAIADQARTIRIPVHMVETINKLSRTARQLQQELGREPSYEEIAEAMGPGWDAKRVEETLKIAQEPVSLETPIGDEKDSFYGDFIPDENLPSPVEAAAQSLLSEELEKALSKLSEREAMVLKLRKGLIDGREHTLEEVGAYFGVTRERIRQIENKALRKLKYHESRTRKLRDFLE

来源 Source

来源生物 organism	Thermus aquaticus
NCBI 分类编号 ncbi_taxonomy_id	271
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 6 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	2

Entity 7 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	4

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6. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1l9ua_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9ub_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9uc_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9ud_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9ue_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9uh_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9uj_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9uk_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9ul_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9um_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9un_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

结构域编号 domain_id	d1l9uq_
类 Class class	i — Low resolution protein structures
折叠类型 Fold fold	i.8 — RNA polymerase
超家族 Superfamily superfamily	i.8.1 — RNA polymerase
家族 Family family	i.8.1.1 — RNA polymerase

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7. 引用文献 (1)

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晶胞边长 a length_a	155.000 Å
晶胞边长 b length_b	271.200 Å
晶胞边长 c length_c	155.300 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	91.40 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	4.000 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

fit	/app/data/saxs_computation/l9/1l9u/1l9u.fit
pddf	/app/data/pr_computation/l9/1l9u/1l9u.pr.out
profile	/app/data/saxs_computation/l9/1l9u/1l9u.dat

THERMUS AQUATICUS RNA POLYMERASE HOLOENZYME AT 4 A 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

精修参数 Refinement

衍射实验 Diffraction

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 non-polymer

Entity 7 non-polymer

6. 折叠分类 (SCOP + CATH) 12 domains

SCOP 2.08 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)