9cca

;Cryo-EM structure of a designed pyridoxal phosphate (PLP) synthase fused to a designed circumsporozoite protein antigen from Plasmodium falciparum (CSP-P1-CSP and CSP-P2-CSP) ;

Method: ELECTRON MICROSCOPY D_max: 167.8 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9cca
沉积日期 deposition_date	2024-06-21
结构标题 title	;Cryo-EM structure of a designed pyridoxal phosphate (PLP) synthase fused to a designed circumsporozoite protein antigen from Plasmodium falciparum (CSP-P1-CSP and CSP-P2-CSP) ;
关键词 keywords	synthase, complex, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
实验方法 method	ELECTRON MICROSCOPY

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	60.45 Å
回转半径 Rg (电子) rg_electron	60.19 Å
零角强度 I(0) i0	4468900000.00
分子量 molecular_weight	580830.0 kDa
排除体积 excluded_volume	734380 Å³
包络体积 envelope_volume	1103500 Å³
水化壳体积 shell_volume	146940 Å³
包络直径 envelope_diameter	176.5 Å
壳层 Rg shell_rg	69.05 Å
包络 Rg envelope_rg	57.26 Å
形状 Rg shape_rg	60.25 Å
总 Rg total_rg	60.18 Å
总原子数 total_atoms	82341
残基数 n_residues	5287
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

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	167.8 Å
Rg (实空间) rg_real	59.94 Å
Rg 误差 (实空间) rg_real_error	0.95 Å
I(0) (实空间) i0_real	4.4690e+09
I(0) 误差 (实空间) i0_real_error	7.9550e+07
Rg (倒空间) rg_reciprocal	60.86 Å
I(0) (倒空间) i0_reciprocal	4475000000.0000
解质量估计 total_estimate	0.6161
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	77.4 Å
偏度 Skewness skewness	-0.038
峰度 Kurtosis kurtosis	-0.510
角度范围 angular_range	— – 0.1300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	122000000.0000
实空间数据点数 n_real_points	27
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.969; Stabil: 1.000; Sysdev: 0.025; Positv: 1.000; Valcen: 1.000; Smooth: 0.023

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合体信息 (2)

Entity 1 polymer

描述 description	;Circumsporozoite protein,Pyridoxal 5'-phosphate synthase subunit Pdx1 ;
分子量 formula_weight	58417.1 kDa
EC 编号 ec_number	4.3.3.6
突变 mutation	K198R,K289C,S293C in Pdx1 (Uniprot numbering: K83R,K174C,S178C)
来源方法 src_method	man
拷贝数 entity_count	12

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,M,N,O,P,Q,R
原子数 atom_count	82341

MTGNPDPNANPNVDPNANPNANPNANPNANPNANPNAEPSDKHIKEYLNKIQNSLSTEWSPCSVTCGNGIQVRIKPGSANKPKDELDYANDIEKKICKMEKCSSVFNVVNSGGSGTENHKDDAVLLKHGWCEMLKGGVIMDVKSVEQAKIAEEAGAIGVMVLENIPSELRNKEGVARSVDPSKVEEIKKCVSINVLARVRIGHFVEAQILEELKIDMIDESEVLTIADEMHHIDKHKFKTPFVCGCTNLGEALRRISEGASMIRTKGEAGTGNIIEAIKHIRTVNNEICYLCCLSDSEVYHFAKKINAPIDLVLLTKKLKRLPVVNFAAGGVATPADAAMCMQLGMDGVFVGSGIFESENPRKMAASIVSAVSNFNNPKILLDVSMNLGKAMCGSTRVSDKWKNKNEEHTKFLTPQTGNPDPNANPNVDPNANPNANPNANPNANPNANPNAEPSDKHIKEYLNKIQNSLSTEWSPCSVTCGNGIQVRIKPGSANKPKDELDYANDIEKKICKMEKCSSVFNVVNSGGSLEHHHHHH

来源 Source

来源生物 organism	Plasmodium falciparum
通用名 common_name	malaria parasite P. falciparum
NCBI 分类编号 ncbi_taxonomy_id	5833
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	;Circumsporozoite protein,Pyridoxal 5'-phosphate synthase subunit PDX2 ;
分子量 formula_weight	49843.6 kDa
EC 编号 ec_number	4.3.3.6,3.5.1.2
突变 mutation	N179Q,N242Q,H310N in Pdx2 (Uniprot numbering: N65Q,N128Q,H196N)
来源方法 src_method	man
拷贝数 entity_count	12

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	G,H,I,J,K,L,S,T,U,V,W,X

MTGNPDPNANPNVDPNANPNANPNANPNANPNANPNAEPSDKHIKEYLNKIQNSLSTEWSPCSVTCGNGIQVRIKPGSANKPKDELDYANDIEKKICKMEKCSSVFNVVNSGGSGTEITIGVLSLQGDFEPHINHFIKLQIPSLNIIQVRNVHDLGLCDGLVIPGGESTTVRRCCAYEQDTLYNALVHFIHVLKKPIWGTCAGCILLSKNVENIKLYSNFGNKFSFGGLDITICRNFYGSQQDSFICSLNIISDSSAFKKDLTAACIRAPYIREILSDEVKVLATFSHESYGPNIIAAVEQNNCLGTVFNPELLPHTAFQQYFYEKVKNYKYSTGNPDPNANPNVDPNANPNANPNANPNANPNANPNAEPSDKHIKEYLNKIQNSLSTEWSPCSVTCGNGIQVRIKPGSANKPKDELDYANDIEKKICKMEKCSSVFNVVNSGGSLEHHHHHH

来源 Source

来源生物 organism	Plasmodium falciparum
通用名 common_name	malaria parasite P. falciparum
NCBI 分类编号 ncbi_taxonomy_id	5833
宿主生物 host_organism	Escherichia coli

▶

7. 引用文献 (1)

▶

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	—

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	triclinic

分辨率 resolution	2.95 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	251050

fit	/app/data/saxs_computation/cc/9cca/9cca.fit
pddf	/app/data/pr_computation/cc/9cca/9cca.pr.out
profile	/app/data/saxs_computation/cc/9cca/9cca.dat

;Cryo-EM structure of a designed pyridoxal phosphate (PLP) synthase fused to a designed circumsporozoite protein antigen from Plasmodium falciparum (CSP-P1-CSP and CSP-P2-CSP) ;

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)