2knr

;Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905 ;

Method: SOLUTION NMR D_max: 48.6 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	2knr
沉积日期 deposition_date	2009-09-02
结构标题 title	;Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905 ;
关键词 keywords	;methods development, Structural Genomics, Protein NMR, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Target AtT13, PSI-2, Protein Structure Initiative, non-uniform sampling, muldidimensional decomposition, ABACUS, fragment Monte-Carlo, Ontario Centre for Structural Proteomics, OCSP, UNKNOWN FUNCTION ;; STRUCTURAL GENOMICS, 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	14.70 Å
回转半径 Rg (电子) rg_electron	14.01 Å
零角强度 I(0) i0	1022770000.00
分子量 molecular_weight	265040.0 kDa
排除体积 excluded_volume	329400 Å³
包络体积 envelope_volume	27384 Å³
水化壳体积 shell_volume	14795 Å³
包络直径 envelope_diameter	53.9 Å
壳层 Rg shell_rg	21.61 Å
包络 Rg envelope_rg	16.01 Å
形状 Rg shape_rg	13.99 Å
总 Rg total_rg	14.22 Å
总原子数 total_atoms	37160
残基数 n_residues	2360
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	48.6 Å
Rg (实空间) rg_real	14.63 Å
Rg 误差 (实空间) rg_real_error	0.36 Å
I(0) (实空间) i0_real	1.0230e+09
I(0) 误差 (实空间) i0_real_error	1.2140e+07
Rg (倒空间) rg_reciprocal	14.64 Å
I(0) (倒空间) i0_reciprocal	1023000000.0000
解质量估计 total_estimate	0.8788
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	19.7 Å
偏度 Skewness skewness	0.200
峰度 Kurtosis kurtosis	-0.212
角度范围 angular_range	— – 0.5000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	307800.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.983

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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	2knrA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1530 — hypothetical protein tt1805
同源超家族 H-superfamily homologous superfamily	20 — Protein of unknown function (DUF1491)

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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	Uncharacterized protein ATC0905
分子量 formula_weight	13598.3 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	37160

来源生物 organism	Agrobacterium tumefaciens str. C58
NCBI 分类编号 ncbi_taxonomy_id	176299
宿主生物 host_organism	Escherichia coli

;Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905 ;

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/kn/2knr/2knr.fit
pddf	/app/data/pr_computation/kn/2knr/2knr.pr.out
profile	/app/data/saxs_computation/kn/2knr/2knr.dat