9j8e

;Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor ;

Method: X-RAY DIFFRACTION D_max: 85.2 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	9j8e
沉积日期 deposition_date	2024-08-21
最后修订 last_revision	2024-09-11
结构标题 title	;Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor ;
关键词 keywords	BirA, bifunctional protein, biotin protein ligase, transcriptional repressor, DNA BINDING PROTEIN; DNA BINDING 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	27.90 Å
回转半径 Rg (电子) rg_electron	26.93 Å
零角强度 I(0) i0	65235400.00
分子量 molecular_weight	64625.0 kDa
排除体积 excluded_volume	81598 Å³
包络体积 envelope_volume	100590 Å³
水化壳体积 shell_volume	30919 Å³
包络直径 envelope_diameter	89.1 Å
壳层 Rg shell_rg	34.34 Å
包络 Rg envelope_rg	26.83 Å
形状 Rg shape_rg	26.94 Å
总 Rg total_rg	27.70 Å
总原子数 total_atoms	4557
残基数 n_residues	590
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	85.2 Å
Rg (实空间) rg_real	27.79 Å
Rg 误差 (实空间) rg_real_error	0.47 Å
I(0) (实空间) i0_real	6.5240e+07
I(0) 误差 (实空间) i0_real_error	8.9420e+05
Rg (倒空间) rg_reciprocal	27.83 Å
I(0) (倒空间) i0_reciprocal	65240000.0000
解质量估计 total_estimate	0.9135
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	83.7 Å
偏度 Skewness skewness	0.162
峰度 Kurtosis kurtosis	-0.625
角度范围 angular_range	— – 0.2850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	11980000.0000
实空间数据点数 n_real_points	58
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.971; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.960

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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 (3)

Entity 1 polymer

描述 description	Bifunctional ligase/repressor BirA
分子量 formula_weight	34372.4 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	4617

MMNFTLLTYLADCQPKVRSELEKFSKNLEEDIQQLREIGLDILVDGQDYRLVPMLPLLNPQQISTALFPYSIHYQPIISSTNEWILQNILSLKKGDLCVAEYQTAGRGRRGRQWLSPFAGQIMFSFYWAFDPKKSIEGLSLVIGLAIAEVLNVQVKWPNDILFDERKLGGILVEIANHKNGMLNLVIGIGINVSLSKQTEISQPYAEVCEIDPDVERQTLLPKLIQHLYTRLNIFEQNGIDEEFQQAWQSYNAFSNSEINVLTEQGVISGIEQGIDERGYLKVLCGNKIQMFNGGEVSLRKK

来源 Source

来源生物 organism	Haemophilus influenzae Rd KW20
NCBI 分类编号 ncbi_taxonomy_id	71421
宿主生物 host_organism	Escherichia coli K-12

Entity 2 non-polymer

描述 description	BIOTINYL-5-AMP
分子量 formula_weight	573.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	2

Entity 3 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	60

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7. 引用文献 (1)

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晶胞边长 a length_a	55.580 Å
晶胞边长 b length_b	55.580 Å
晶胞边长 c length_c	201.924 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	8

空间群 space_group	P 41
空间群编号 int_tables_number	76
晶系 crystal_system	—

分辨率 resolution	2.650 Å
最低分辨率 resolution_low	28.790 Å
R 因子 r_factor	0.2059
R_work r_work	0.1986
R_free r_free	0.2702

fit	/app/data/saxs_computation/j8/9j8e/9j8e.fit
pddf	/app/data/pr_computation/j8/9j8e/9j8e.pr.out
profile	/app/data/saxs_computation/j8/9j8e/9j8e.dat

;Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor ;

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