1kq1

1.55 A Crystal structure of the pleiotropic translational regulator, Hfq

Method: X-RAY DIFFRACTION D_max: 78.9 Å Quality: EXCELLENT

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	1kq1
沉积日期 deposition_date	2002-01-03
结构标题 title	1.55 A Crystal structure of the pleiotropic translational regulator, Hfq
关键词 keywords	Hfq, hexamer, RNA binding protein, translational regulator, Sm motif, TRANSLATION; TRANSLATION
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	27.22 Å
回转半径 Rg (电子) rg_electron	25.62 Å
零角强度 I(0) i0	110511000.00
分子量 molecular_weight	85109.0 kDa
排除体积 excluded_volume	107560 Å³
包络体积 envelope_volume	129910 Å³
水化壳体积 shell_volume	39843 Å³
包络直径 envelope_diameter	83.4 Å
壳层 Rg shell_rg	34.78 Å
包络 Rg envelope_rg	25.55 Å
形状 Rg shape_rg	25.58 Å
总 Rg total_rg	26.74 Å
总原子数 total_atoms	6019
残基数 n_residues	734
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	78.9 Å
Rg (实空间) rg_real	26.95 Å
Rg 误差 (实空间) rg_real_error	0.38 Å
I(0) (实空间) i0_real	1.1050e+08
I(0) 误差 (实空间) i0_real_error	1.3890e+06
Rg (倒空间) rg_reciprocal	27.04 Å
I(0) (倒空间) i0_reciprocal	110500000.0000
解质量估计 total_estimate	0.9060
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	36.7 Å
偏度 Skewness skewness	0.004
峰度 Kurtosis kurtosis	-0.534
角度范围 angular_range	— – 0.2900 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	53250000.0000
实空间数据点数 n_real_points	59
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.965; Smooth: 0.993

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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	Host Factor for Q beta
分子量 formula_weight	8786.7 kDa
来源方法 src_method	man
拷贝数 entity_count	12

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,H,I,K,M,S,T,Y,N,R,W
原子数 atom_count	6611

MIANENIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTVETEGQASTESEE

来源 Source

来源生物 organism	Staphylococcus aureus
NCBI 分类编号 ncbi_taxonomy_id	1280
宿主生物 host_organism	Escherichia coli

Entity 2 non-polymer

描述 description	ACETIC ACID
分子量 formula_weight	60.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

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	592

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6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1kq1a_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1b_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1h_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1i_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1k_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1m_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1n_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1r_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1s_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1t_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1w_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

结构域编号 domain_id	d1kq1y_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.38 — Sm-like fold
超家族 Superfamily superfamily	b.38.1 — Sm-like ribonucleoproteins
家族 Family family	b.38.1.2 — Pleiotropic translational regulator Hfq

CATH v4.4 (12 domains)

结构域编号 domain_id	1kq1A00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1B00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1H00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1I00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1K00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1M00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1N00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1R00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1S00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1T00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1W00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	1kq1Y00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	100 —

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7. 引用文献 (1)

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晶胞边长 a length_a	67.030 Å
晶胞边长 b length_b	89.950 Å
晶胞边长 c length_c	67.770 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	97.95 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	24

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	1.550 Å
最低分辨率 resolution_low	22.370 Å
R 因子 r_factor	—
R_work r_work	0.2370
R_free r_free	0.2590

fit	/app/data/saxs_computation/kq/1kq1/1kq1.fit
pddf	/app/data/pr_computation/kq/1kq1/1kq1.pr.out
profile	/app/data/saxs_computation/kq/1kq1/1kq1.dat

1.55 A Crystal structure of the pleiotropic translational regulator, Hfq

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 non-polymer

Entity 3 water

6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)