1n0e

;CRYSTAL STRUCTURE OF A CELL DIVISION AND CELL WALL BIOSYNTHESIS PROTEIN UPF0040 FROM MYCOPLASMA PNEUMONIAE: INDICATION OF A NOVEL FOLD WITH A POSSIBLE NEW CONSERVED SEQUENCE MOTIF ;

Method: X-RAY DIFFRACTION D_max: 114.4 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	1n0e
沉积日期 deposition_date	2002-10-13
结构标题 title	;CRYSTAL STRUCTURE OF A CELL DIVISION AND CELL WALL BIOSYNTHESIS PROTEIN UPF0040 FROM MYCOPLASMA PNEUMONIAE: INDICATION OF A NOVEL FOLD WITH A POSSIBLE NEW CONSERVED SEQUENCE MOTIF ;
关键词 keywords	;Cell Division and cell wall biosynthesis protein, Structural Genomics, BSGC structure funded by NIH, Protein Structure Initiative, PSI, Berkeley Structural Genomics Center, BIOSYNTHETIC PROTEIN ;; BIOSYNTHETIC PROTEIN
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	38.43 Å
回转半径 Rg (电子) rg_electron	37.72 Å
零角强度 I(0) i0	243376000.00
分子量 molecular_weight	130740.0 kDa
排除体积 excluded_volume	165090 Å³
包络体积 envelope_volume	215810 Å³
水化壳体积 shell_volume	45659 Å³
包络直径 envelope_diameter	116.3 Å
壳层 Rg shell_rg	46.49 Å
包络 Rg envelope_rg	36.48 Å
形状 Rg shape_rg	37.66 Å
总 Rg total_rg	38.47 Å
总原子数 total_atoms	9238
残基数 n_residues	1130
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	114.4 Å
Rg (实空间) rg_real	38.23 Å
Rg 误差 (实空间) rg_real_error	0.81 Å
I(0) (实空间) i0_real	2.4340e+08
I(0) 误差 (实空间) i0_real_error	4.4350e+06
Rg (倒空间) rg_reciprocal	38.36 Å
I(0) (倒空间) i0_reciprocal	243400000.0000
解质量估计 total_estimate	0.8948
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	61.4 Å
偏度 Skewness skewness	0.002
峰度 Kurtosis kurtosis	-0.842
角度范围 angular_range	— – 0.2050 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	66550000.0000
实空间数据点数 n_real_points	42
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.806

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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)

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6. 折叠分类 (SCOP + CATH) 21 domains

SCOP 2.08 (13 domains)

结构域编号 domain_id	d1n0ea1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0ea2
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	d1n0eb1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0eb2
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	d1n0ec_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0ed_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0ee1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0ee2
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	d1n0ef1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0ef2
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	d1n0eg1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

结构域编号 domain_id	d1n0eg2
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	d1n0eh_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.129 — Double-split beta-barrel
超家族 Superfamily superfamily	b.129.1 — AbrB/MazE/MraZ-like
家族 Family family	b.129.1.2 — Hypothetical protein MraZ

CATH v4.4 (8 domains)

结构域编号 domain_id	1n0eA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eE00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eG00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

结构域编号 domain_id	1n0eH00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1550 — Chemotaxis protein chec
同源超家族 H-superfamily homologous superfamily	20 — Transcriptional regulator MraZ domain

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7. 引用文献 (1)

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晶胞边长 a length_a	78.627 Å
晶胞边长 b length_b	100.064 Å
晶胞边长 c length_c	100.851 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	93.30 °
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	2.700 Å
最低分辨率 resolution_low	14.970 Å
R 因子 r_factor	0.2310
R_work r_work	0.2310
R_free r_free	0.2790

描述 description	Protein mraZ
分子量 formula_weight	19342.9 kDa
来源方法 src_method	man
拷贝数 entity_count	8

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	9772

;CRYSTAL STRUCTURE OF A CELL DIVISION AND CELL WALL BIOSYNTHESIS PROTEIN UPF0040 FROM MYCOPLASMA PNEUMONIAE: INDICATION OF A NOVEL FOLD WITH A POSSIBLE NEW CONSERVED SEQUENCE MOTIF ;

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 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 water

6. 折叠分类 (SCOP + CATH) 21 domains

SCOP 2.08 (13 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Mycoplasma pneumoniae
NCBI 分类编号 ncbi_taxonomy_id	2104
宿主生物 host_organism	Escherichia coli

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	534

fit	/app/data/saxs_computation/n0/1n0e/1n0e.fit
pddf	/app/data/pr_computation/n0/1n0e/1n0e.pr.out
profile	/app/data/saxs_computation/n0/1n0e/1n0e.dat