9h3b

Lotus japonicus CERK6 extracellular domain in complex with chitopentaose

Method: X-RAY DIFFRACTION D_max: 59.2 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	9h3b
沉积日期 deposition_date	2024-10-16
最后修订 last_revision	2025-07-16
结构标题 title	Lotus japonicus CERK6 extracellular domain in complex with chitopentaose
关键词 keywords	LysM, chitin receptor, carbohydrate, PLANT PROTEIN; PLANT 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	18.34 Å
回转半径 Rg (电子) rg_electron	17.11 Å
零角强度 I(0) i0	11073900.00
分子量 molecular_weight	24019.0 kDa
排除体积 excluded_volume	29743 Å³
包络体积 envelope_volume	35297 Å³
水化壳体积 shell_volume	17231 Å³
包络直径 envelope_diameter	59.4 Å
壳层 Rg shell_rg	23.18 Å
包络 Rg envelope_rg	17.41 Å
形状 Rg shape_rg	17.08 Å
总 Rg total_rg	18.13 Å
总原子数 total_atoms	1686
残基数 n_residues	199
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	59.2 Å
Rg (实空间) rg_real	18.22 Å
Rg 误差 (实空间) rg_real_error	0.29 Å
I(0) (实空间) i0_real	1.1070e+07
I(0) 误差 (实空间) i0_real_error	1.2060e+05
Rg (倒空间) rg_reciprocal	18.24 Å
I(0) (倒空间) i0_reciprocal	11070000.0000
解质量估计 total_estimate	0.8843
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	24.0 Å
偏度 Skewness skewness	0.143
峰度 Kurtosis kurtosis	-0.375
角度范围 angular_range	— – 0.4350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	2423000.0000
实空间数据点数 n_real_points	75
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.979

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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 (5)

Entity 1 polymer

描述 description	LysM type receptor kinase
分子量 formula_weight	22517.9 kDa
来源方法 src_method	man
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	1686

SKCTHGCALAQASYYLLNGSNLTYISEIMQSSLLTKPEDIVSYNQDTIASKDSVQAGQRINVPFPCDCIEGEFLGHTFQYDVQKGDRYDTIAGTNYANLTTVEWLRRFNSYPPDNIPDTGTLNVTVNCSCGDSGVGDYGLFVTYPLRPGETLGSVASNVKLDSALLQKYNPNVNFNQGSGIVYIPAKDQNGSYVLLGSHHHHHHH

来源 Source

来源生物 organism	Lotus japonicus
NCBI 分类编号 ncbi_taxonomy_id	34305
宿主生物 host_organism	Spodoptera frugiperda

Entity 2 branched

描述 description	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	367.3 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 3 branched

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	424.4 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 4 branched

描述 description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	586.5 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 5 branched

描述 description	;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
分子量 formula_weight	1034.0 kDa
来源方法 src_method	man
拷贝数 entity_count	1

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7. 引用文献 (1)

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晶胞边长 a length_a	60.137 Å
晶胞边长 b length_b	60.137 Å
晶胞边长 c length_c	390.422 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	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 61 2 2
空间群编号 int_tables_number	178
晶系 crystal_system	hexagonal

分辨率 resolution	2.580 Å
最低分辨率 resolution_low	19.680 Å
R 因子 r_factor	0.2514
R_work r_work	0.2504
R_free r_free	0.2694

fit	/app/data/saxs_computation/h3/9h3b/9h3b.fit
pddf	/app/data/pr_computation/h3/9h3b/9h3b.pr.out
profile	/app/data/saxs_computation/h3/9h3b/9h3b.dat

Lotus japonicus CERK6 extracellular domain in complex with chitopentaose

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