SAXSdb — 8hwl

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	8hwl
沉积日期 deposition_date	2022-12-30
结构标题 title	Human Pyruvate Carboxylase
关键词 keywords	PC, Mitochondrial, CYTOSOLIC PROTEIN; CYTOSOLIC 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	56.88 Å
回转半径 Rg (电子) rg_electron	56.18 Å
零角强度 I(0) i0	2429390000.00
分子量 molecular_weight	414340.0 kDa
排除体积 excluded_volume	518800 Å³
包络体积 envelope_volume	820830 Å³
水化壳体积 shell_volume	119250 Å³
包络直径 envelope_diameter	178.0 Å
壳层 Rg shell_rg	63.07 Å
包络 Rg envelope_rg	53.09 Å
形状 Rg shape_rg	56.21 Å
总 Rg total_rg	56.27 Å
总原子数 total_atoms	29208
残基数 n_residues	3764
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	173.7 Å
Rg (实空间) rg_real	56.50 Å
Rg 误差 (实空间) rg_real_error	1.11 Å
I(0) (实空间) i0_real	2.4290e+09
I(0) 误差 (实空间) i0_real_error	4.5900e+07
Rg (倒空间) rg_reciprocal	57.18 Å
I(0) (倒空间) i0_reciprocal	2432000000.0000
解质量估计 total_estimate	0.8675
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	80.6 Å
偏度 Skewness skewness	-0.033
峰度 Kurtosis kurtosis	-0.529
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	122500000.0000
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: 0.896; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.628

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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	Pyruvate carboxylase, mitochondrial
分子量 formula_weight	129799.4 kDa
EC 编号 ec_number	6.4.1.1
来源方法 src_method	man
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,C,E
原子数 atom_count	29208

MLKFRTVHGGLRLLGIRRTSTAPAASPNVRRLEYKPIKKVMVANRGEIAIRVFRACTELGIRTVAIYSEQDTGQMHRQKADEAYLIGRGLAPVQAYLHIPDIIKVAKENNVDAVHPGYGFLSERADFAQACQDAGVRFIGPSPEVVRKMGDKVEARAIAIAAGVPVVPGTDAPITSLHEAHEFSNTYGFPIIFKAAYGGGGRGMRVVHSYEELEENYTRAYSEALAAFGNGALFVEKFIEKPRHIEVQILGDQYGNILHLYERDCSIQRRHQKVVEIAPAAHLDPQLRTRLTSDSVKLAKQVGYENAGTVEFLVDRHGKHYFIEVNSRLQVEHTVTEEITDVDLVHAQIHVAEGRSLPDLGLRQENIRINGCAIQCRVTTEDPARSFQPDTGRIEVFRSGEGMGIRLDNASAFQGAVISPHYDSLLVKVIAHGKDHPTAATKMSRALAEFRVRGVKTNIAFLQNVLNNQQFLAGTVDTQFIDENPELFQLRPAQNRAQKLLHYLGHVMVNGPTTPIPVKASPSPTDPVVPAVPIGPPPAGFRDILLREGPEGFARAVRNHPGLLLMDTTFRDAHQSLLATRVRTHDLKKIAPYVAHNFSKLFSMENWGGATFDVAMRFLYECPWRRLQELRELIPNIPFQMLLRGANAVGYTNYPDNVVFKFCEVAKENGMDVFRVFDSLNYLPNMLLGMEAAGSAGGVVEAAISYTGDVADPSRTKYSLQYYMGLAEELVRAGTHILCIKDMAGLLKPTACTMLVSSLRDRFPDLPLHIHTHDTSGAGVAAMLACAQAGADVVDVAADSMSGMTSQPSMGALVACTRGTPLDTEVPMERVFDYSEYWEGARGLYAAFDCTATMKSGNSDVYENEIPGGQYTNLHFQAHSMGLGSKFKEVKKAYVEANQMLGDLIKVTPSSKIVGDLAQFMVQNGLSRAEAEAQAEELSFPRSVVEFLQGYIGVPHGGFPEPFRSKVLKDLPRVEGRPGASLPPLDLQALEKELVDRHGEEVTPEDVLSAAMYPDVFAHFKDFTATFGPLDSLNTRLFLQGPKIAEEFEVELERGKTLHIKALAVSDLNRAGQRQVFFELNGQLRSILVKDTQAMKEMHFHPKALKDVKGQIGAPMPGKVIDIKVVAGAKVAKGQPLCVLSAMKMETVVTSPMEGTVRKVHVTKDMTLEGDDLILEIE

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

Entity 2 non-polymer

描述 description	5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
分子量 formula_weight	228.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

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7. 引用文献 (1)

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分辨率 resolution	5.63 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	21450

fit	/app/data/saxs_computation/hw/8hwl/8hwl.fit
pddf	/app/data/pr_computation/hw/8hwl/8hwl.pr.out
profile	/app/data/saxs_computation/hw/8hwl/8hwl.dat

Human Pyruvate Carboxylase

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution