9h9b

native structure of the full-length pesticidal protein Cry8Ba2, from crystals formed in vivo (form 2)

Method: X-RAY DIFFRACTION D_max: 174.0 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	9h9b
沉积日期 deposition_date	2024-10-30
结构标题 title	native structure of the full-length pesticidal protein Cry8Ba2, from crystals formed in vivo (form 2)
关键词 keywords	Bacterial toxin, TOXIN; TOXIN
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	48.33 Å
回转半径 Rg (电子) rg_electron	49.01 Å
零角强度 I(0) i0	255643000.00
分子量 molecular_weight	129900.0 kDa
排除体积 excluded_volume	161840 Å³
包络体积 envelope_volume	247780 Å³
水化壳体积 shell_volume	45716 Å³
包络直径 envelope_diameter	169.4 Å
壳层 Rg shell_rg	46.66 Å
包络 Rg envelope_rg	49.50 Å
形状 Rg shape_rg	49.02 Å
总 Rg total_rg	48.86 Å
总原子数 total_atoms	9176
残基数 n_residues	1135
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	174.0 Å
Rg (实空间) rg_real	49.23 Å
Rg 误差 (实空间) rg_real_error	2.41 Å
I(0) (实空间) i0_real	2.5560e+08
I(0) 误差 (实空间) i0_real_error	5.1400e+06
Rg (倒空间) rg_reciprocal	48.33 Å
I(0) (倒空间) i0_reciprocal	255300000.0000
解质量估计 total_estimate	0.7397
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	36.9 Å
偏度 Skewness skewness	0.555
峰度 Kurtosis kurtosis	-0.587
角度范围 angular_range	— – 0.1650 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	23590000.0000
实空间数据点数 n_real_points	34
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.462; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.430; Smooth: 0.797

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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)

Entity 1 polymer

描述 description	Cry8Ba2
分子量 formula_weight	133844.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	9360

MSPNNQNEYEIIDATPSTSVSNDSNRYPFANEPTNALQNMDYKDYLKMSAGNVSEYPGSPEVFLSEQDAVKAAIDIVGKLLTGLGVPFVGPIVSLYTQLIDILWPSKQKSQWEIFMEQVEELINQKIAEYARNKALSELEGLGNNYQLYLTALEEWKENPNGSRALRDVRNRFEILDSLFTQYMPSFRVTNFEVPFLTVYTMAANLHLLLLRDASIFGEEWGLSTSTINNYYNRQMKLTAEYSDHCVKWYETGLAKLKGSSAKQWIDYNQFRREMTLTVLDVVALFSNYDTRTYPLATTAQLTREVYTDPLGAVDVPNIGSWYDKAPSFSEIEKAAIRPPHEFDYITGLTVYTKKRSFTSDRYMRYWAGHQISYKTIGTSSTFTQMYGTNQNLQSTSNFDFTNYDIYKTLSNDAVLLDIVYPGYTYTFFGMPETEFFMVNQLNNTRKTLTYKPASKDIIDRTRDSELELPPETSGQPNYESYSHRLGHITFIYSSSTSTYVPVFSWTHRSADLTNTVKSGEITQIPGGKSSYIGRNTYIIKGRGYTGGDLLALTDRIGSCEFQMIFPESQRFRIRIRYASNETSYISLYGLNQSGTLKFNQTYSNKNENDLTYNDFKYIEYPRVISVNASSNIQRLSIGIQTNTNLFILDRIEFIPVDETYEAETDLEAAKKAVNALFTNTKDGLQPGVTDYEVNQAANLVECLSDDLYPNEKRLLFDAVREAKRLSEARNLLQDPDFQEINGENGWTASTGIEVIEGDAVFKGRYLRLPGAREIDTETYPTYLYQKVEEGVLKPYTRYRLRGFVGSSQGLEIYTIRHQTNRIVKNVPDDLLPDVPPVNNDGRINRCSEQKYVNSRLEVENRSGEAHEFSIPIDTGELDYNENAGIWVGFKITDPEGYATLGNLELVEEGPLSGDALERLQKEEQQWKIQMTRRREETDRRYMASKQAVDRLYADYQDQQLNPNVEITDLTAAQDLIQSIPYVYNEMFPEIPGMNYTKFTELTDRLQQAWGLYDQRNAIPNGDYRNELSNWNTTSGVNVQQINHTSVLVIPNWNEQVSQKFTVQPNQRYVLRVTARKEGVGNGYVSIRDGGNQSETLTFSASDYDTNGMYDTQASNTNGYNTNSVYNDQTGYITKTVTFIPYTNQMWIEISETEGTFYIESVELIVDVE

Entity 2 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	175

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7. 引用文献 (1)

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晶胞边长 a length_a	93.320 Å
晶胞边长 b length_b	93.320 Å
晶胞边长 c length_c	275.510 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 21 2
空间群编号 int_tables_number	92
晶系 crystal_system	—

分辨率 resolution	2.270 Å
最低分辨率 resolution_low	28.110 Å
R 因子 r_factor	0.1824
R_work r_work	0.1801
R_free r_free	0.2258

fit	/app/data/saxs_computation/h9/9h9b/9h9b.fit
pddf	/app/data/pr_computation/h9/9h9b/9h9b.pr.out
profile	/app/data/saxs_computation/h9/9h9b/9h9b.dat

native structure of the full-length pesticidal protein Cry8Ba2, from crystals formed in vivo (form 2)

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

Entity 2 water

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)