1rxo

ACTIVATED SPINACH RUBISCO IN COMPLEX WITH ITS SUBSTRATE RIBULOSE-1,5-BISPHOSPHATE AND CALCIUM

Method: X-RAY DIFFRACTION D_max: 132.5 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	1rxo
沉积日期 deposition_date	1996-12-06
结构标题 title	ACTIVATED SPINACH RUBISCO IN COMPLEX WITH ITS SUBSTRATE RIBULOSE-1,5-BISPHOSPHATE AND CALCIUM
关键词 keywords	LYASE (CARBON-CARBON); LYASE (CARBON-CARBON)
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	43.14 Å
回转半径 Rg (电子) rg_electron	42.73 Å
零角强度 I(0) i0	1004190000.00
分子量 molecular_weight	261400.0 kDa
排除体积 excluded_volume	326270 Å³
包络体积 envelope_volume	422590 Å³
水化壳体积 shell_volume	78011 Å³
包络直径 envelope_diameter	137.0 Å
壳层 Rg shell_rg	50.95 Å
包络 Rg envelope_rg	42.83 Å
形状 Rg shape_rg	42.74 Å
总 Rg total_rg	43.05 Å
总原子数 total_atoms	18416
残基数 n_residues	2308
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	132.5 Å
Rg (实空间) rg_real	42.92 Å
Rg 误差 (实空间) rg_real_error	0.86 Å
I(0) (实空间) i0_real	1.0040e+09
I(0) 误差 (实空间) i0_real_error	1.7250e+07
Rg (倒空间) rg_reciprocal	43.14 Å
I(0) (倒空间) i0_reciprocal	1004000000.0000
解质量估计 total_estimate	0.6626
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	60.9 Å
偏度 Skewness skewness	0.097
峰度 Kurtosis kurtosis	-0.552
角度范围 angular_range	— – 0.1850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	268700000.0000
实空间数据点数 n_real_points	38
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.942; Stabil: 1.000; Sysdev: 0.016; Positv: 1.000; Valcen: 0.983; Smooth: 0.752

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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	RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE
分子量 formula_weight	52777.7 kDa
EC 编号 ec_number	4.1.1.39
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	L,B,E,H
原子数 atom_count	19440

MSPQTETKASVGFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHSGTVVGKLEGERDITLGFVDLLRDDYTEKDRSRGIYFTQSWVSTPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAREGNTIIREATKWSPELAAACEVWKEIKFEFPAMDTV

Entity 2 polymer

描述 description	RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE
分子量 formula_weight	14638.7 kDa
EC 编号 ec_number	4.1.1.39
来源方法 src_method	nat
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	S,C,F,I

MQVWPILNLKKYETLSYLPPLTTDQLARQVDYLLNNKWVPCLEFETDHGFVYREHHNSPGYYDGRYWTMWKLPMFGCTDPAQVLNELEECKKEYPNAFIRIIGFDSNREVQCISFIAYKPAGY

Entity 3 non-polymer

描述 description	RIBULOSE-1,5-DIPHOSPHATE
分子量 formula_weight	310.1 kDa
来源方法 src_method	man
拷贝数 entity_count	4

Entity 4 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 5 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	1024

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6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1rxob1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.14 — RuBisCo, C-terminal domain
家族 Family family	c.1.14.1 — RuBisCo, large subunit, C-terminal domain

结构域编号 domain_id	d1rxob2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.9 — RuBisCO, large subunit, small (N-terminal) domain
家族 Family family	d.58.9.1 — Ribulose 1,5-bisphosphate carboxylase-oxygenase

结构域编号 domain_id	d1rxoc_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.73 — RuBisCO, small subunit
超家族 Superfamily superfamily	d.73.1 — RuBisCO, small subunit
家族 Family family	d.73.1.1 — RuBisCO, small subunit

结构域编号 domain_id	d1rxoe1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.14 — RuBisCo, C-terminal domain
家族 Family family	c.1.14.1 — RuBisCo, large subunit, C-terminal domain

结构域编号 domain_id	d1rxoe2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.9 — RuBisCO, large subunit, small (N-terminal) domain
家族 Family family	d.58.9.1 — Ribulose 1,5-bisphosphate carboxylase-oxygenase

结构域编号 domain_id	d1rxof_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.73 — RuBisCO, small subunit
超家族 Superfamily superfamily	d.73.1 — RuBisCO, small subunit
家族 Family family	d.73.1.1 — RuBisCO, small subunit

结构域编号 domain_id	d1rxoh1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.14 — RuBisCo, C-terminal domain
家族 Family family	c.1.14.1 — RuBisCo, large subunit, C-terminal domain

结构域编号 domain_id	d1rxoh2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.9 — RuBisCO, large subunit, small (N-terminal) domain
家族 Family family	d.58.9.1 — Ribulose 1,5-bisphosphate carboxylase-oxygenase

结构域编号 domain_id	d1rxoi_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.73 — RuBisCO, small subunit
超家族 Superfamily superfamily	d.73.1 — RuBisCO, small subunit
家族 Family family	d.73.1.1 — RuBisCO, small subunit

结构域编号 domain_id	d1rxol1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.14 — RuBisCo, C-terminal domain
家族 Family family	c.1.14.1 — RuBisCo, large subunit, C-terminal domain

结构域编号 domain_id	d1rxol2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.9 — RuBisCO, large subunit, small (N-terminal) domain
家族 Family family	d.58.9.1 — Ribulose 1,5-bisphosphate carboxylase-oxygenase

结构域编号 domain_id	d1rxos_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.73 — RuBisCO, small subunit
超家族 Superfamily superfamily	d.73.1 — RuBisCO, small subunit
家族 Family family	d.73.1.1 — RuBisCO, small subunit

CATH v4.4 (12 domains)

结构域编号 domain_id	1rxoB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	150 — RuBisCO large subunit, N-terminal domain

结构域编号 domain_id	1rxoB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	110 — Ribulose bisphosphate carboxylase, large subunit, C-terminal domain

结构域编号 domain_id	1rxoC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	190 — Ribulose 1,5 Bisphosphate Carboxylase/Oxygenase
同源超家族 H-superfamily homologous superfamily	10 — Ribulose bisphosphate carboxylase, small subunit

结构域编号 domain_id	1rxoE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	150 — RuBisCO large subunit, N-terminal domain

结构域编号 domain_id	1rxoE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	110 — Ribulose bisphosphate carboxylase, large subunit, C-terminal domain

结构域编号 domain_id	1rxoF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	190 — Ribulose 1,5 Bisphosphate Carboxylase/Oxygenase
同源超家族 H-superfamily homologous superfamily	10 — Ribulose bisphosphate carboxylase, small subunit

结构域编号 domain_id	1rxoH01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	150 — RuBisCO large subunit, N-terminal domain

结构域编号 domain_id	1rxoH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	110 — Ribulose bisphosphate carboxylase, large subunit, C-terminal domain

结构域编号 domain_id	1rxoI00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	190 — Ribulose 1,5 Bisphosphate Carboxylase/Oxygenase
同源超家族 H-superfamily homologous superfamily	10 — Ribulose bisphosphate carboxylase, small subunit

结构域编号 domain_id	1rxoL01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	150 — RuBisCO large subunit, N-terminal domain

结构域编号 domain_id	1rxoL02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	110 — Ribulose bisphosphate carboxylase, large subunit, C-terminal domain

结构域编号 domain_id	1rxoS00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	190 — Ribulose 1,5 Bisphosphate Carboxylase/Oxygenase
同源超家族 H-superfamily homologous superfamily	10 — Ribulose bisphosphate carboxylase, small subunit

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7. 引用文献 (2)

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晶胞边长 a length_a	157.600 Å
晶胞边长 b length_b	158.500 Å
晶胞边长 c length_c	202.600 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	32

空间群 space_group	C 2 2 21
空间群编号 int_tables_number	20
晶系 crystal_system	—

分辨率 resolution	2.200 Å
最低分辨率 resolution_low	7.000 Å
R 因子 r_factor	0.2050
R_work r_work	0.2050
R_free r_free	0.2290

fit	/app/data/saxs_computation/rx/1rxo/1rxo.fit
pddf	/app/data/pr_computation/rx/1rxo/1rxo.pr.out
profile	/app/data/saxs_computation/rx/1rxo/1rxo.dat

ACTIVATED SPINACH RUBISCO IN COMPLEX WITH ITS SUBSTRATE RIBULOSE-1,5-BISPHOSPHATE AND CALCIUM

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 (5)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. 引用文献 (2)

8. 文件与曲线 (10)

Files (7)

Curves (3)