2ap6

X-Ray Crystal Structure of Protein Atu4242 from Agrobacterium tumefaciens. Northeast Strucutral Genomics Consortium Target AtR43.

Method: X-RAY DIFFRACTION D_max: 80.0 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	2ap6
沉积日期 deposition_date	2005-08-15
结构标题 title	X-Ray Crystal Structure of Protein Atu4242 from Agrobacterium tumefaciens. Northeast Strucutral Genomics Consortium Target AtR43.
关键词 keywords	STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, UNKNOWN FUNCTION; UNKNOWN FUNCTION
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	28.54 Å
回转半径 Rg (电子) rg_electron	27.15 Å
零角强度 I(0) i0	148928000.00
分子量 molecular_weight	98743.0 kDa
排除体积 excluded_volume	124250 Å³
包络体积 envelope_volume	146280 Å³
水化壳体积 shell_volume	42925 Å³
包络直径 envelope_diameter	79.4 Å
壳层 Rg shell_rg	36.14 Å
包络 Rg envelope_rg	26.64 Å
形状 Rg shape_rg	27.13 Å
总 Rg total_rg	28.12 Å
总原子数 total_atoms	6864
残基数 n_residues	800
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	80.0 Å
Rg (实空间) rg_real	28.31 Å
Rg 误差 (实空间) rg_real_error	0.36 Å
I(0) (实空间) i0_real	1.4890e+08
I(0) 误差 (实空间) i0_real_error	1.9570e+06
Rg (倒空间) rg_reciprocal	28.41 Å
I(0) (倒空间) i0_reciprocal	148900000.0000
解质量估计 total_estimate	0.9028
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	40.0 Å
偏度 Skewness skewness	-0.009
峰度 Kurtosis kurtosis	-0.596
角度范围 angular_range	— – 0.2800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	65850000.0000
实空间数据点数 n_real_points	57
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.969; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.854

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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) 24 domains

SCOP 2.08 (16 domains)

结构域编号 domain_id	d2ap6a1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6a2
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	d2ap6b2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6b3
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	d2ap6c2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6c3
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	d2ap6d2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6d3
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	d2ap6e2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6e3
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	d2ap6f2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6f3
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	d2ap6g2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6g3
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	d2ap6h2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.4 — Dimeric alpha+beta barrel
家族 Family family	d.58.4.13 — NIPSNAP

结构域编号 domain_id	d2ap6h3
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

CATH v4.4 (8 domains)

结构域编号 domain_id	2ap6A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6B00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6C00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6D00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6E00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6F00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6G00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	100 —

结构域编号 domain_id	2ap6H00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
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	134.832 Å
晶胞边长 b length_b	134.830 Å
晶胞边长 c length_c	56.320 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	32

空间群 space_group	P 21 21 2
空间群编号 int_tables_number	18
晶系 crystal_system	—

分辨率 resolution	2.500 Å
最低分辨率 resolution_low	19.720 Å
R 因子 r_factor	0.1965
R_work r_work	0.1965
R_free r_free	0.2847

描述 description	hypothetical protein Atu4242
分子量 formula_weight	13444.9 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	7048

X-Ray Crystal Structure of Protein Atu4242 from Agrobacterium tumefaciens. Northeast Strucutral Genomics Consortium Target AtR43.

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) 24 domains

SCOP 2.08 (16 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	Agrobacterium tumefaciens str.
NCBI 分类编号 ncbi_taxonomy_id	176299
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	184

fit	/app/data/saxs_computation/ap/2ap6/2ap6.fit
pddf	/app/data/pr_computation/ap/2ap6/2ap6.pr.out
profile	/app/data/saxs_computation/ap/2ap6/2ap6.dat