1m6x

Flpe-Holliday Junction Complex

Method: X-RAY DIFFRACTION D_max: 124.0 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	1m6x
沉积日期 deposition_date	2002-07-17
结构标题 title	Flpe-Holliday Junction Complex
关键词 keywords	TYROSINE RECOMBINASE, PROTEIN-DNA COMPLEX, HOLLIDAY-JUNCTION, DOMAIN-SWAPPING, LIGASE, LYASE-DNA COMPLEX; LIGASE, LYASE/DNA
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	40.36 Å
回转半径 Rg (电子) rg_electron	39.75 Å
零角强度 I(0) i0	871747000.00
分子量 molecular_weight	224080.0 kDa
排除体积 excluded_volume	272510 Å³
包络体积 envelope_volume	371000 Å³
水化壳体积 shell_volume	74401 Å³
包络直径 envelope_diameter	124.5 Å
壳层 Rg shell_rg	48.40 Å
包络 Rg envelope_rg	38.57 Å
形状 Rg shape_rg	39.75 Å
总 Rg total_rg	40.14 Å
总原子数 total_atoms	15641
残基数 n_residues	1729
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	124.0 Å
Rg (实空间) rg_real	40.12 Å
Rg 误差 (实空间) rg_real_error	0.89 Å
I(0) (实空间) i0_real	8.7170e+08
I(0) 误差 (实空间) i0_real_error	1.4290e+07
Rg (倒空间) rg_reciprocal	40.36 Å
I(0) (倒空间) i0_reciprocal	872000000.0000
解质量估计 total_estimate	0.8950
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	57.2 Å
偏度 Skewness skewness	0.026
峰度 Kurtosis kurtosis	-0.529
角度范围 angular_range	— – 0.1950 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	100800000.0000
实空间数据点数 n_real_points	40
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.929

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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 (5)

Entity 1 polymer

描述 description	Symmetrized FRT site
分子量 formula_weight	3916.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	E,F
原子数 atom_count	15641

TAAGTTCCTATTC

Entity 2 polymer

描述 description	Symmetrized FRT site
分子量 formula_weight	6165.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	I,J

TTTAAAAGAATAGGAACTTC

Entity 3 polymer

描述 description	Symmetrized FRT site
分子量 formula_weight	10126.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polydeoxyribonucleotide
链编号 strand_id	G,H

TAAGTTCCTATTCTTTAAAAGAATAGGAACTTC

Entity 4 polymer

描述 description	Flp recombinase
分子量 formula_weight	48667.7 kDa
突变 mutation	P2S, L33S, Y108N, S294P
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

MSQFDILCKTPPKVLVRQFVERFERPSGEKIASCAAELTYLCWMITHNGTAIKRATFMSYNTIISNSLSFDIVNKSLQFKYKTQKATILEASLKKLIPAWEFTIIPYNGQKHQSDITDIVSSLQLQFESSEEADKGNSHSKKMLKALLSEGESIWEITEKILNSFEYTSRFTKTKTLYQFLFLATFINCGRFSDIKNVDPKSFKLVQNKYLGVIIQCLVTETKTSVSRHIYFFSARGRIDPLVYLDEFLRNSEPVLKRVNRTGNSSSNKQEYQLLKDNLVRSYNKALKKNAPYPIFAIKNGPKSHIGRHLMTSFLSMKGLTELTNVVGNWSDKRASAVARTTYTHQITAIPDHYFALVSRYYAYDPISKEMIALKDETNPIEEWQHIEQLKGSAEGSIRYPAWNGIISQEVLDYLSSYINRRI

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli

Entity 5 polymer

描述 description	Flp recombinase
分子量 formula_weight	48747.7 kDa
突变 mutation	P2S, L33S, Y108N, S294P
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	C,D

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli

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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	d1m6xa1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.60 — SAM domain-like
超家族 Superfamily superfamily	a.60.9 — lambda integrase-like, N-terminal domain
家族 Family family	a.60.9.1 — lambda integrase-like, N-terminal domain

结构域编号 domain_id	d1m6xa2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.163 — DNA breaking-rejoining enzymes
超家族 Superfamily superfamily	d.163.1 — DNA breaking-rejoining enzymes
家族 Family family	d.163.1.1 — Lambda integrase-like, catalytic core

结构域编号 domain_id	d1m6xb1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.60 — SAM domain-like
超家族 Superfamily superfamily	a.60.9 — lambda integrase-like, N-terminal domain
家族 Family family	a.60.9.1 — lambda integrase-like, N-terminal domain

结构域编号 domain_id	d1m6xb2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.163 — DNA breaking-rejoining enzymes
超家族 Superfamily superfamily	d.163.1 — DNA breaking-rejoining enzymes
家族 Family family	d.163.1.1 — Lambda integrase-like, catalytic core

结构域编号 domain_id	d1m6xc1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.60 — SAM domain-like
超家族 Superfamily superfamily	a.60.9 — lambda integrase-like, N-terminal domain
家族 Family family	a.60.9.1 — lambda integrase-like, N-terminal domain

结构域编号 domain_id	d1m6xc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.163 — DNA breaking-rejoining enzymes
超家族 Superfamily superfamily	d.163.1 — DNA breaking-rejoining enzymes
家族 Family family	d.163.1.1 — Lambda integrase-like, catalytic core

结构域编号 domain_id	d1m6xd1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.60 — SAM domain-like
超家族 Superfamily superfamily	a.60.9 — lambda integrase-like, N-terminal domain
家族 Family family	a.60.9.1 — lambda integrase-like, N-terminal domain

结构域编号 domain_id	d1m6xd2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.163 — DNA breaking-rejoining enzymes
超家族 Superfamily superfamily	d.163.1 — DNA breaking-rejoining enzymes
家族 Family family	d.163.1.1 — Lambda integrase-like, catalytic core

CATH v4.4 (8 domains)

结构域编号 domain_id	1m6xA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	300 — GMP Synthetase; Chain A, domain 3
同源超家族 H-superfamily homologous superfamily	80 — FLP Recombinase, lambda integrase-like, N-terminal domain (domain 1)

结构域编号 domain_id	1m6xA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	443 — hpI Integrase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Intergrase catalytic core

结构域编号 domain_id	1m6xB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	300 — GMP Synthetase; Chain A, domain 3
同源超家族 H-superfamily homologous superfamily	80 — FLP Recombinase, lambda integrase-like, N-terminal domain (domain 1)

结构域编号 domain_id	1m6xB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	443 — hpI Integrase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Intergrase catalytic core

结构域编号 domain_id	1m6xC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	300 — GMP Synthetase; Chain A, domain 3
同源超家族 H-superfamily homologous superfamily	80 — FLP Recombinase, lambda integrase-like, N-terminal domain (domain 1)

结构域编号 domain_id	1m6xC02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	443 — hpI Integrase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Intergrase catalytic core

结构域编号 domain_id	1m6xD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	300 — GMP Synthetase; Chain A, domain 3
同源超家族 H-superfamily homologous superfamily	80 — FLP Recombinase, lambda integrase-like, N-terminal domain (domain 1)

结构域编号 domain_id	1m6xD02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	443 — hpI Integrase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Intergrase catalytic core

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7. 引用文献 (1)

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晶胞边长 a length_a	79.779 Å
晶胞边长 b length_b	116.511 Å
晶胞边长 c length_c	142.425 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	97.26 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

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	37.470 Å
R 因子 r_factor	0.2390
R_work r_work	0.2390
R_free r_free	0.2810

fit	/app/data/saxs_computation/m6/1m6x/1m6x.fit
pddf	/app/data/pr_computation/m6/1m6x/1m6x.pr.out
profile	/app/data/saxs_computation/m6/1m6x/1m6x.dat

Flpe-Holliday Junction Complex

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 (5)

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

来源 Source

Entity 5 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)