2ia2

The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1

Method: X-RAY DIFFRACTION D_max: 107.7 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	2ia2
沉积日期 deposition_date	2006-09-06
结构标题 title	The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1
关键词 keywords	;SAD, Transcriptional Regulator, PSI-2, Structural Genomics, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, TRANSCRIPTION ;; TRANSCRIPTION
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	33.37 Å
回转半径 Rg (电子) rg_electron	32.66 Å
零角强度 I(0) i0	173779000.00
分子量 molecular_weight	104590.0 kDa
排除体积 excluded_volume	130760 Å³
包络体积 envelope_volume	171570 Å³
水化壳体积 shell_volume	43840 Å³
包络直径 envelope_diameter	109.4 Å
壳层 Rg shell_rg	39.41 Å
包络 Rg envelope_rg	32.23 Å
形状 Rg shape_rg	32.69 Å
总 Rg total_rg	33.13 Å
总原子数 total_atoms	7320
残基数 n_residues	976
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	107.7 Å
Rg (实空间) rg_real	33.30 Å
Rg 误差 (实空间) rg_real_error	0.88 Å
I(0) (实空间) i0_real	1.7380e+08
I(0) 误差 (实空间) i0_real_error	2.9800e+06
Rg (倒空间) rg_reciprocal	33.35 Å
I(0) (倒空间) i0_reciprocal	173800000.0000
解质量估计 total_estimate	0.8900
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	41.2 Å
偏度 Skewness skewness	0.277
峰度 Kurtosis kurtosis	-0.363
角度范围 angular_range	— – 0.2350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	28850000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.890; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.897

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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) 8 domains

CATH v4.4 (8 domains)

结构域编号 domain_id	2ia2A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

结构域编号 domain_id	2ia2A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	450 — Beta-Lactamase
同源超家族 H-superfamily homologous superfamily	40 — GAF domain

结构域编号 domain_id	2ia2B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

结构域编号 domain_id	2ia2B02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	450 — Beta-Lactamase
同源超家族 H-superfamily homologous superfamily	40 — GAF domain

结构域编号 domain_id	2ia2C01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

结构域编号 domain_id	2ia2C02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	450 — Beta-Lactamase
同源超家族 H-superfamily homologous superfamily	40 — GAF domain

结构域编号 domain_id	2ia2D01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	10 — Arc Repressor Mutant, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

结构域编号 domain_id	2ia2D02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	450 — Beta-Lactamase
同源超家族 H-superfamily homologous superfamily	40 — GAF domain

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7. 引用文献 (1)

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晶胞边长 a length_a	60.892 Å
晶胞边长 b length_b	121.526 Å
晶胞边长 c length_c	174.259 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	16

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.100 Å
最低分辨率 resolution_low	36.740 Å
R 因子 r_factor	0.1876
R_work r_work	0.1857
R_free r_free	0.2233

描述 description	Putative Transcriptional Regulator
分子量 formula_weight	29070.6 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	8064

The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1

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) 8 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	Rhodococcus sp.
NCBI 分类编号 ncbi_taxonomy_id	101510
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	741

fit	/app/data/saxs_computation/ia/2ia2/2ia2.fit
pddf	/app/data/pr_computation/ia/2ia2/2ia2.pr.out
profile	/app/data/saxs_computation/ia/2ia2/2ia2.dat