SAXSdb — 9flx

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9flx
沉积日期 deposition_date	2024-06-05
结构标题 title	CryoEM structure of the fragment-4 (4074-4421) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1
关键词 keywords	ixotrophy, type 9 secretion system, cryoEM, surface protein, predation, CELL ADHESION; CELL ADHESION
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	55.40 Å
回转半径 Rg (电子) rg_electron	56.02 Å
零角强度 I(0) i0	976521000.00
分子量 molecular_weight	251350.0 kDa
排除体积 excluded_volume	311000 Å³
包络体积 envelope_volume	528870 Å³
水化壳体积 shell_volume	85929 Å³
包络直径 envelope_diameter	199.4 Å
壳层 Rg shell_rg	53.31 Å
包络 Rg envelope_rg	52.59 Å
形状 Rg shape_rg	56.06 Å
总 Rg total_rg	55.79 Å
总原子数 total_atoms	17675
残基数 n_residues	2436
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	195.9 Å
Rg (实空间) rg_real	55.68 Å
Rg 误差 (实空间) rg_real_error	2.42 Å
I(0) (实空间) i0_real	9.7650e+08
I(0) 误差 (实空间) i0_real_error	2.1410e+07
Rg (倒空间) rg_reciprocal	55.16 Å
I(0) (倒空间) i0_reciprocal	975800000.0000
解质量估计 total_estimate	0.7717
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	56.0 Å
偏度 Skewness skewness	0.553
峰度 Kurtosis kurtosis	-0.146
角度范围 angular_range	— – 0.1400 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	347900000.0000
实空间数据点数 n_real_points	29
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.430; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.742

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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 (1)

Entity 1 polymer

描述 description	The grappling hook protein A in the bacterium Aureispira sp. CCB-QB1
分子量 formula_weight	610114.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	7

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,A,C,D,E,F,G
原子数 atom_count	17675

MQIQRHSFKWILYGFLCWMTSFVQAQTPTLTNATPAEGFIGEQVCFPVTFVNTGAPGYGPYVRLIVPTGFTFDNASFGGSIQTVQNLGVIVSGAPNNFVIDPIAQSNNNSTTSDTIFAPVGSTVILLEYPVGSMVQGGVSLISEVCMTVDPAATIGVPVDICTQGVYEFGDTPTGDNGPIAGANECEPIIPILFRFDKKVNGSDGVYNEVPGGGASLCHIHQYELNIDIAAAGTLNGPITITDVLPGELAYFGNISLPAGCSAVEPTVGGLGGTLTVTCNGSYPGSTANIDMQVTFDAAVSDTLDETICDDTDINNGATVNVPGNPSQSDTVVTHVEHVLLGHTNNTVSPVTIGQTVLYTIGAEITEYTAGLTAASITFIVPDGMIYNPASLTWAGTPVAAGNVVIVPGPGTGSTVTVDVHTQNGANILPCASPSLQYTADVNQTYANGDPVLSRDRLTHSSTLTYDLVEGATGCTTSAGTPIDVIDIFFQKTVNNSPPTGPGRNGQWWPGDVVQYRLELQIPSLDLDDVVITDFFPLPIHDVASLAATFGTDVRFDPATCWNTAPVTYTRDIPTNSLILDFGDVSDLVTGGCVDIVLLIDIPITTLPFADGLFHSNFMQVNSDNSTADNITNSALTLIQVGAPDLELTKGIVSSDNPNVTISPTVVPPDGNATDVSAGDQLFFDITIENVGGAPGYDVQVRDVAPPELTNCALVAPNPVVDGSNNALAFSGGFVGNTLTIDLVAPNDSIAFATAPNNNDLITVSYVCEAVAGIQAGTRFDNTAEVDWSSTRGGVKFPPVEDDANGRIADPTMNKVVDYIFPNYSNTNTQASIGEVVAYELQLNIPEGNMNNVTLVDQVDEGLAFVAVDSIVICNSSGSTNIITSIGGGFPAVQSGATITNLGANPQQQDRVLTLDFGNLQNLDTDNIEDTIKVYYRTIVINHVTNFDGERVRNRAVLSWDNPNTPGDRSSINDRAPFVTIVEPQLEISKSFTPDEVLPGNNSFVTLTVRNPGTSSAPAFDVSLTDILPTGMTFVSGFSAGGTASITTPPTNGGGTITAHWDTINVGEVYSITFEVQASSSITPCFTLTNCANLVWESIAEADEPNMPTAFSSNLGVQRTGNPGNLGGAANTYTQDSCADLDVVIDNTFDPFITANTPLCEGDRVVLTVQQYQGNVVRYNWTGPGVPAGFNNYELVLDPVTTADTGTYFVYVELDGCITDTSNFFSLQLRPKPVTPNINPGDTTICEGTSIQFSTSTIANDYTWTGPNGFTANSATTPLISPVTLADAGRYTLFTTNAQGCNSDPISSNLTVTPRPAQPSIASNTPICSNENIILTSSTSAITYQWMAPNGQDTITTNNTLTLEPNNPLYTAGNWTLVVFDANGCASQPSTAANVIINGTPIAPMTSNSGPICEGEDVTLMVNTVSSGTYAWYSDANLTNLVASTQNPVISGLLASNSPDTFYVQVSSNGCLSDTGFTVVQVNPNPAAVSPGYTPLCSGDTIFLFANATANIYNWTGPNGFVSNLENPFIANSAALNAGSYTVSITDANGCSNSGIVQVAVDERPVTPTITGNGPVCEGDNIQLNIGSYTGTTVQYTWSTPTGVVTTGVPSLNINNTTVADSGLYSVVVAVDGCTSLADSINIVVRPNPIAPNVPSNFSVCEGDGIALTTTTNANIYNWTGPNGFSSNSPNPTVISPASSANAGTYTLVVQDFNGCTSPAASTVVTVNAAPAQPSMTTNSPICNGADLVMSTSAAGNSYIWRAPNGADTTTASSTLTIVPTSSLYQSGNWTLSVVNAAGCVSPASIASAVEINSIPSTASAGNNGPVCTGTDASLSAGTVSGASYAWYTDAGTSNQFSTLQNPTVNNLTNDSTFYLLVTVNGCPSALDSTTVVVYPLTPSPSLPANFAVCEGDDIALSTSTVASSYDWSGPNGFTSNAQNPVVITNATGSNAGVYTLSIVDGNGCSSADTSVQVTVNAAPTQPSMTTNSPICNGADLVMSTSAVGNSYIWRAPNGADTTTASSTLTIVPTSSLYQSGNWTLSVVNAAGCVSPASIASAVEINSIPSTASAGNNGPVCTGTDASLSAGTVSGASYAWYTDAGTSNQFSTLQNPTVNNLTNDSTFYLLVTVNGCPSALDSTTVVVYPLTPSPSLPADFAVCEGDDIALSTSTVASSYDWSGPNGFTSNAQNPVVITNATGSNAGVYTLSIVDGNGCSSADTSVQVTVNAAPAQPSMTTNSPICNGADLVMSTSATGNSYIWRAPNGADTTTASSTLTIVPTSSLYQSGNWTLSVVNAAGCVSPASIASAVEINSIPSTASAGNNGPVCTGTDASLSAGTVSGASYAWYTDAGTSNQFSTLQNPTVNNLTNDSTFYLLVTVNGCPSALDSTTVVVYPLTPSPSLPADFAVCEGDDIALSTSTVASSYDWSGPNGFTSNAQNPVVITNATGSNAGVYTLSIVDGNGCSSADTSVQVTVNAAPTQPSMTTNSPICNGADLVMSTSAVGNSYIWRAPNGADTTTASSTLTIAPTSSLYQSGNWTLSVVNAAGCVSPASVASMVTINNGTNPTAFNNGPVCRGDAVQLNTTTINNALYEWYSDAALTNLISTQQNPTVANITTDSTFYLVVTVNGCPSSAVATTVTLHPTPATPNIPANFVVCEGETIALSTSTVASSYNWTGPNGFTSNLQNPAVIQPATTADAGSYTLFIVDANGCQSADTSVVVGVNRGPAAPVLTNNSAICDGDTLLLSTTASADTFRWISPNGIDTITTVNSLMIVPTNGTYYQSGDWTLITQVANNCPSEPSAPSSVVINSSTAAPTAFNDGPVCVGGDVTLSTPSAPGAFYQWYTDAALTNLVATTASFTAINITQDSTFYLVVTVNGCTSPAGSTVVNVIGQPSAPNVPADFEVCEGDDIILGTTTIAASYSWTGPNGFTSNLQNPAAITNASLIDSGIYRLVVTYSNGCVSADTTVRVGVNSNPPVPNIVSNGPICFGDTLVLSSSTSCGQSQWIGPNGNSQSTLGTPGGSNVLWTIGSTTSIPMNNANYLPGNWYMICIDTVTGCRSESNTINVIINANPDTPAVFNDGPVCEGGNSNLSTATVSGASYAWYSDSSLTSLVSTAQNPMIVNISTDTTWYLVVTVNGCSSVAGSTTVIVHPTPVTPNVPANFAVCEGDNITLSTSTVASSYNWSGPNGFTSNVQNPVVITNATTSNAGVYTLSIIDGNGCESGDTAVTVTVDSIPATPVLSSNSAICFGDTLELSTTALATSYEWIAPDGSRITTGTNILSISSNNSLYQSGDWMLVTTNASGCTSMPSSVATVVINANPAQPAVFNDGPVCEGGNSNLSTATVSGASYAWYSDSSLTSLVSTAQNPMIVNISTDTTWYLVVTVNGCSSVAGSTTVIVHPTPATPNVPANFAVCEGDNITLSTSTVASSYNWSGPNGFTSNVQNPVVITNATTSNAGVYTLSIVDGNGCESGDTTVTVTVDSIPVTPVLSSNSAICFGDTLELSTTALATSYEWIAPDGSRITTGTNILSISSNNSLYQSGDWMLVTTNASGCTSMPSSVATVVINANPAQPAVFNDGPVCEGGNSNLSTATVSGASYAWYSDSSLTSLVSTAQNPMIVNISTDTTWYLVVTVNGCSSVAGSTTVIVYPTPATPNVPANFAVCEGDNITLSTSTVASGYNWSGPNGFTSNVQNPVVITNATASNAGVYTLSIVDGNGCESGDTTVTVTVNGNPPVATITSNSPICFGDTLTLSSSTNCGQSQWIGPNGNSSGTLGTPGGNNVLWTIGSTTNIPSTDVNYLSGDWYMICIDTITGCRSESNTITIEINPIPVVSAFNNGPICAGEDGELSATFITGASYRWYSDATLTTLISTSRTPIISSMMSSETYYVVATVNGCTSLADSTTIVVNPTPVIPNPTYTPLCQLDTLFLQANAVGPIATYWWTGPNGFTSHLENPVIPNIYPFNAGSYILTVTDSLGCEAVSTVEVTIYPKPQTPTIAHNAPFCEGTNDLTLTTQAYFGTDVRYIWTLPNGNLDTTFVPSLVLPNATVQDTGAYSLVVWIDGCLSLPAEEIIRIYPTPATPNVPADFAVCEGEAIVLTTTTNATSYFWTGPNGFQSNLQSPSVVNATLVDAGSYHLYVTNTWGCQSLDTSVQVTVNANPPIATITSNSPICFGDTLTLSSSTNCGQSQWIGPNGNSTGTLGTPGGNNVLWTIGSTTNIPSTDSNYLSGDWYMICIDTITGCRSESNTITIDINPIPSTPAAFNNGPICIGGTAQLSTTTVSGATYAWYADATLTTLVATNQNPTISNITTDSTFYIVVTVNGCSSLAGSTTVSTYPVPATPAVPADFAVCEGDNIVLSTTTVAAGYNWTGPNGFTSNLQNPSVVSASLVDSGTYTLFIIDANGCPSGDTSVQVSVHPNPVQPVLSSNSAICDGDSLVLSTTATATTYRWVAPDGADTLTTVNTLVILPSNAFYQDGNWTLMTMDANGCQSILSNPESVTIHSIPAAQAVFNNGPVCRGSSVNLSTSFISGATYEWYADAALTILVATSQNPTINNITTDSTFYLVITVNGCTSAAGATTVVVHPTPTTPNVPSNITVCEGDAIVLTTTTNASAYVWSGPNGFSSNQQSPTVINAATVVDSGKYSLYVIDANGCRSEDTSLQVVVNPTPTTPLIVSNNTPICEGSNIVLSANAGAAGTTYEWFNASNVSVGTGQTLTIVGATVADAGDYYVITTLNSCSSAASSTTTAIVDQVPSTAAFAGNDINLCNSFTTTLDATPPNSATGFWTTNSGATIANPNLANSAVYNLPTGTSTFYWTLSNGACIDFSVDSMVVEVTPASTDVADAGLDQNLCGQTSATLTAANPSTATGQWTQSASQAGQGIVITNPTNPNTTVTGLQQGNNYTFTWTLSNGNCTDYSTDMVQINVDVSPPDNAYAGVDILLCNQNTANLDAFVSQYGTGMWTSTSSATIIDPTLANTTVINLPQDTSVFVWTLSNGTCQNYSTDSVLVVVSTTTDTAEAGNNQVVCSVNALTLGATMPSSGFGTWSQTAAQAAQGVVIVDVNDPNTQVVGLNAGTTYAFTWTLSNGTCQDYSSDVTTISVNATPPDNAFAGNDINLCGVATTTNLAASVPTVAMGLWTTTSSATISNPTQPNSTVSGLSAGQNIFIWTLSNGTCQDYDSDTVIVTVTTPSSDVADAGLDSAYCAQSVVTLNAVAPSVGGGYWSQTPSQASLGAVIDNPTDTATTVSNLMPGVTYTFTWTLTNGGCVDYSSDQVLITIDVLPTNVAYAGEDTILCGGNAVQLDGLAPPIGTGFWTTNDTATIVTPVDPNSLVVNIAEDTTTYYWTLSNGACVDYSVDSVTVIISPASTDLAFAGYDEVLCGVDSIMLSAAVPTTSTGIWTQSAGQASQGIVITNPTNPNSSVTGIQAGQVYTFTWTLSTFGCANFSTDDVQYTINALPPEVAYAGPDIVLCTGNSVTMDANNPIFSTGVWSSNSSAVIVNPTLSNSNIVNIPTDTVAFYWSLSNGSCADYSIDTMLIIVTPTFSVDTANAGLDINLCNEDTAQLMAIAPNVATGRWTQPFNQSSAGVVITDPNAAMTTATGLQLDSTYTFTWSVSNGPCRDYDRDQVIVQVSTLPTDAAYAGEDFVICGIDTAIVSATAPSIGAGMWTTTTTATIVTPPSTRTELLNLSLGSNEFIWTLSNGACRDYSSDTIVITMDSAPIANADSFVVIYNSNGNTIDVTPNDGLNNNWVITISESIASGTLDNLGTGEFDLFLQDVLVDQRFIYQLCNPNCPAIYCDTALVTIDVQGGTECNFPNMITPNNDDANETFIVPCLDGLEGTKFAVYNRWGDLMYENDNYKNDWGGTHNGVPVPDATYFYIMELADGQRFQGFVEVRR

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7. 引用文献 (2)

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分辨率 resolution	3.60 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	39561

fit	/app/data/saxs_computation/fl/9flx/9flx.fit
pddf	/app/data/pr_computation/fl/9flx/9flx.pr.out
profile	/app/data/saxs_computation/fl/9flx/9flx.dat

CryoEM structure of the fragment-4 (4074-4421) in the grappling hook protein A (GhpA) in the bacterium Aureispira sp. CCB-QB1

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (1)

Entity 1 polymer

聚合体 Polymer

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)