2dcp

Fully automated NMR structure determination of the ENTH-VHS domain AT3G16270 from Arabidopsis thaliana

Method: SOLUTION NMR D_max: 60.0 Å Quality: REASONABLE

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	2dcp
沉积日期 deposition_date	2006-01-12
结构标题 title	Fully automated NMR structure determination of the ENTH-VHS domain AT3G16270 from Arabidopsis thaliana
关键词 keywords	Fully automated structure determination; FLYA algorithm, UNKNOWN FUNCTION; UNKNOWN FUNCTION
实验方法 method	SOLUTION NMR

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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	16.32 Å
回转半径 Rg (电子) rg_electron	15.68 Å
零角强度 I(0) i0	1415730000.00
分子量 molecular_weight	310870.0 kDa
排除体积 excluded_volume	386460 Å³
包络体积 envelope_volume	52230 Å³
水化壳体积 shell_volume	20954 Å³
包络直径 envelope_diameter	73.6 Å
壳层 Rg shell_rg	27.89 Å
包络 Rg envelope_rg	21.92 Å
形状 Rg shape_rg	15.69 Å
总 Rg total_rg	15.89 Å
总原子数 total_atoms	43740
残基数 n_residues	2800
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	60.0 Å
Rg (实空间) rg_real	16.37 Å
Rg 误差 (实空间) rg_real_error	0.53 Å
I(0) (实空间) i0_real	1.4160e+09
I(0) 误差 (实空间) i0_real_error	1.9300e+07
Rg (倒空间) rg_reciprocal	16.36 Å
I(0) (倒空间) i0_reciprocal	1416000000.0000
解质量估计 total_estimate	0.7438
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	18.5 Å
偏度 Skewness skewness	0.483
峰度 Kurtosis kurtosis	0.050
角度范围 angular_range	— – 0.4900 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	882400.0000
实空间数据点数 n_real_points	79
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.586; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.907; Smooth: 0.000

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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 (1)

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6. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

结构域编号 domain_id	2dcpA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	25 — Alpha Horseshoe
拓扑 Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
同源超家族 H-superfamily homologous superfamily	90 —

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7. 引用文献 (2)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 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	1

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	—

描述 description	hypothetical protein (RAFL09-17-B18)
分子量 formula_weight	15583.6 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	43740

来源生物 organism	Arabidopsis thaliana
通用名 common_name	thale cress
NCBI 分类编号 ncbi_taxonomy_id	3702
宿主生物 host_organism	Cell free synthesis

Fully automated NMR structure determination of the ENTH-VHS domain AT3G16270 from Arabidopsis thaliana

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

5. 实体与聚合体信息 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/dc/2dcp/2dcp.fit
pddf	/app/data/pr_computation/dc/2dcp/2dcp.pr.out
profile	/app/data/saxs_computation/dc/2dcp/2dcp.dat