1or7

Crystal Structure of Escherichia coli sigmaE with the Cytoplasmic Domain of its Anti-sigma RseA

Method: X-RAY DIFFRACTION D_max: 88.2 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	1or7
沉积日期 deposition_date	2003-03-12
结构标题 title	Crystal Structure of Escherichia coli sigmaE with the Cytoplasmic Domain of its Anti-sigma RseA
关键词 keywords	regulation, DNA-BINDING, TRANSMEMBRANE, 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	27.63 Å
回转半径 Rg (电子) rg_electron	26.82 Å
零角强度 I(0) i0	50221100.00
分子量 molecular_weight	54192.0 kDa
排除体积 excluded_volume	67516 Å³
包络体积 envelope_volume	81792 Å³
水化壳体积 shell_volume	26176 Å³
包络直径 envelope_diameter	89.3 Å
壳层 Rg shell_rg	33.14 Å
包络 Rg envelope_rg	26.64 Å
形状 Rg shape_rg	26.79 Å
总 Rg total_rg	27.61 Å
总原子数 total_atoms	3808
残基数 n_residues	474
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	88.2 Å
Rg (实空间) rg_real	27.70 Å
Rg 误差 (实空间) rg_real_error	0.51 Å
I(0) (实空间) i0_real	5.0220e+07
I(0) 误差 (实空间) i0_real_error	7.1230e+05
Rg (倒空间) rg_reciprocal	27.69 Å
I(0) (倒空间) i0_reciprocal	50220000.0000
解质量估计 total_estimate	0.8916
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	26.3 Å
偏度 Skewness skewness	0.333
峰度 Kurtosis kurtosis	-0.652
角度范围 angular_range	— – 0.2850 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	18410000.0000
实空间数据点数 n_real_points	58
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.929; Smooth: 0.945

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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	RNA polymerase sigma-E factor
分子量 formula_weight	22004.0 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	A,B
原子数 atom_count	4020

GSHMSEQLTDQVLVERVQKGDQKAFNLLVVRYQHKVASLVSRYVPSGDVPDVVQEAFIKAYRALDSFRGDSAFYTWLYRIAVNTAKNYLVAQGRRPPSSDVDAIEAENFESGGALKEISNPENLMLSEELRQIVFRTIESLPEDLRMAITLRELDGLSYEEIAAIMDCPVGTVRSRIFRAREAIDNKVQPLIRR

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

描述 description	Sigma-E factor negative regulatory protein
分子量 formula_weight	10408.7 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	C,F

MQKEQLSALMDGETLDSELLNELAHNPEMQKTWESYHLIRDSMRGDTPEVLHFDISSRVMAAIEEEPVRQPATLIPEAQPAPHQWQKMPF

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli BL21(DE3)

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	175

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6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1or7a1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
超家族 Superfamily superfamily	a.4.13 — Sigma3 and sigma4 domains of RNA polymerase sigma factors
家族 Family family	a.4.13.2 — Sigma4 domain

结构域编号 domain_id	d1or7a2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.177 — Sigma2 domain of RNA polymerase sigma factors
超家族 Superfamily superfamily	a.177.1 — Sigma2 domain of RNA polymerase sigma factors
家族 Family family	a.177.1.1 — Sigma2 domain of RNA polymerase sigma factors

结构域编号 domain_id	d1or7a3
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1or7b1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
超家族 Superfamily superfamily	a.4.13 — Sigma3 and sigma4 domains of RNA polymerase sigma factors
家族 Family family	a.4.13.2 — Sigma4 domain

结构域编号 domain_id	d1or7b2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.177 — Sigma2 domain of RNA polymerase sigma factors
超家族 Superfamily superfamily	a.177.1 — Sigma2 domain of RNA polymerase sigma factors
家族 Family family	a.177.1.1 — Sigma2 domain of RNA polymerase sigma factors

结构域编号 domain_id	d1or7b3
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1or7c_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.180 — N-terminal, cytoplasmic domain of anti-sigmaE factor RseA
超家族 Superfamily superfamily	a.180.1 — N-terminal, cytoplasmic domain of anti-sigmaE factor RseA
家族 Family family	a.180.1.1 — N-terminal, cytoplasmic domain of anti-sigmaE factor RseA

结构域编号 domain_id	d1or7f_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.180 — N-terminal, cytoplasmic domain of anti-sigmaE factor RseA
超家族 Superfamily superfamily	a.180.1 — N-terminal, cytoplasmic domain of anti-sigmaE factor RseA
家族 Family family	a.180.1.1 — N-terminal, cytoplasmic domain of anti-sigmaE factor RseA

CATH v4.4 (6 domains)

结构域编号 domain_id	1or7A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1740 — Rna Polymerase Sigma Factor; Chain: A
同源超家族 H-superfamily homologous superfamily	10 — RNA polymerase sigma factor, region 2, helix turn helix motif

结构域编号 domain_id	1or7A02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

结构域编号 domain_id	1or7B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1740 — Rna Polymerase Sigma Factor; Chain: A
同源超家族 H-superfamily homologous superfamily	10 — RNA polymerase sigma factor, region 2, helix turn helix motif

结构域编号 domain_id	1or7B02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

结构域编号 domain_id	1or7C00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	880 — Anti sigma-E protein RseA, N-terminal domain

结构域编号 domain_id	1or7F00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	880 — Anti sigma-E protein RseA, N-terminal domain

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7. 引用文献 (1)

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晶胞边长 a length_a	140.049 Å
晶胞边长 b length_b	56.901 Å
晶胞边长 c length_c	104.981 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	130.51 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.000 Å
最低分辨率 resolution_low	30.000 Å
R 因子 r_factor	0.1988
R_work r_work	0.1971
R_free r_free	0.2315

fit	/app/data/saxs_computation/or/1or7/1or7.fit
pddf	/app/data/pr_computation/or/1or7/1or7.pr.out
profile	/app/data/saxs_computation/or/1or7/1or7.dat

Crystal Structure of Escherichia coli sigmaE with the Cytoplasmic Domain of its Anti-sigma RseA

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 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 water

6. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (8 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)