1gn1

crystal structure of the mouse CCT gamma apical domain (monoclinic)

Method: X-RAY DIFFRACTION D_max: 136.9 Å Quality: REASONABLE

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	1gn1
沉积日期 deposition_date	2001-10-01
结构标题 title	crystal structure of the mouse CCT gamma apical domain (monoclinic)
关键词 keywords	CHAPERONE, CHAPERONIN, ACTIN, TUBULIN; CHAPERONE
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	42.84 Å
回转半径 Rg (电子) rg_electron	42.66 Å
零角强度 I(0) i0	255307000.00
分子量 molecular_weight	128150.0 kDa
排除体积 excluded_volume	159800 Å³
包络体积 envelope_volume	232900 Å³
水化壳体积 shell_volume	48009 Å³
包络直径 envelope_diameter	148.2 Å
壳层 Rg shell_rg	44.93 Å
包络 Rg envelope_rg	41.97 Å
形状 Rg shape_rg	42.70 Å
总 Rg total_rg	42.65 Å
总原子数 total_atoms	8973
残基数 n_residues	1168
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	136.9 Å
Rg (实空间) rg_real	42.94 Å
Rg 误差 (实空间) rg_real_error	1.49 Å
I(0) (实空间) i0_real	2.5530e+08
I(0) 误差 (实空间) i0_real_error	4.6920e+06
Rg (倒空间) rg_reciprocal	42.84 Å
I(0) (倒空间) i0_reciprocal	255300000.0000
解质量估计 total_estimate	0.6449
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	48.1 Å
偏度 Skewness skewness	0.323
峰度 Kurtosis kurtosis	-0.482
角度范围 angular_range	— – 0.1850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	12370000.0000
实空间数据点数 n_real_points	38
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 0.083; Positv: 1.000; Valcen: 0.976; Smooth: 0.302

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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 (3)

Entity 1 polymer

描述 description	CCT-GAMMA
分子量 formula_weight	20644.7 kDa
来源方法 src_method	man
拷贝数 entity_count	8

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	9018

MEDSCVLRGVMINKDVTHPRMRRYIKNPRIVLLDSSLEYKKGESQTDIEITREEDFTRILQMEEEYIHQLCEDIIQLKPDVVITEKGISDLAQHYLMRANVTAIRRVRKTDNNRIARACGARIVSRPEELREDDVGTGAGLLEIKKIGDEYFTFITDCKDPKACTILLRGASHHHHHH

来源 Source

来源生物 organism	MUS MUSCULUS
通用名 common_name	MOUSE
NCBI 分类编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 3 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	45

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6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1gn1a_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1b_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1c_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1d_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1e_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1f_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1g_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

结构域编号 domain_id	d1gn1h_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
超家族 Superfamily superfamily	c.8.5 — GroEL apical domain-like
家族 Family family	c.8.5.2 — Group II chaperonin (CCT, TRIC), apical domain

CATH v4.4 (8 domains)

结构域编号 domain_id	1gn1A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1B00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1C00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1D00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1E00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1F00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1G00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

结构域编号 domain_id	1gn1H00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	7 — GroEL
同源超家族 H-superfamily homologous superfamily	10 — GroEL

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7. 引用文献 (1)

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晶胞边长 a length_a	60.244 Å
晶胞边长 b length_b	234.229 Å
晶胞边长 c length_c	62.703 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	114.70 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

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	2.800 Å
最低分辨率 resolution_low	29.110 Å
R 因子 r_factor	0.2380
R_work r_work	0.2380
R_free r_free	0.2850

fit	/app/data/saxs_computation/gn/1gn1/1gn1.fit
pddf	/app/data/pr_computation/gn/1gn1/1gn1.pr.out
profile	/app/data/saxs_computation/gn/1gn1/1gn1.dat