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2jhr

Crystal structure of myosin-2 motor domain in complex with ADP- metavanadate and pentabromopseudilin

Method: X-RAY DIFFRACTION Dmax: 112.8 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 2jhr

P(r) 距离分布 P(r) Distribution

P(r) distribution for 2jhr
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id2jhr
沉积日期 deposition_date2008-03-25
结构标题 titleCrystal structure of myosin-2 motor domain in complex with ADP- metavanadate and pentabromopseudilin
关键词 keywords;CONTRACTILE PROTEIN, CYTOPLASM, ALLOSTERIC, METHYLATION, COILED COIL, ATP-BINDING, MOTOR PROTEIN, ACTIN-BINDING, PHOSPHOPROTEIN, CALMODULIN-BINDING, NUCLEOTIDE-BINDING ;; CONTRACTILE PROTEIN
实验方法 methodX-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_guinier30.81 Å
回转半径 Rg (电子) rg_electron30.22 Å
零角强度 I(0) i0129274000.00
分子量 molecular_weight89483.0 kDa
排除体积 excluded_volume111620 ų
包络体积 envelope_volume141670 ų
水化壳体积 shell_volume39402 ų
包络直径 envelope_diameter125.1 Å
壳层 Rg shell_rg36.98 Å
包络 Rg envelope_rg30.69 Å
形状 Rg shape_rg30.24 Å
总 Rg total_rg30.74 Å
总原子数 total_atoms6288
残基数 n_residues776
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax112.8 Å
Rg (实空间) rg_real30.86 Å
Rg 误差 (实空间) rg_real_error1.01 Å
I(0) (实空间) i0_real1.2930e+08
I(0) 误差 (实空间) i0_real_error2.1190e+06
Rg (倒空间) rg_reciprocal30.84 Å
I(0) (倒空间) i0_reciprocal129300000.0000
解质量估计 total_estimate0.8319
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary35.4 Å
偏度 Skewness skewness0.456
峰度 Kurtosis kurtosis-0.100
角度范围 angular_range— – 0.2550 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha24640000.0000
实空间数据点数 n_real_points52
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.646; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.884; Smooth: 0.987
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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)

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6. 折叠分类 (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

结构域编号 domain_id2jhrA01
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily530 —
结构域编号 domain_id2jhrA02
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily60 —
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7. 引用文献 (1)

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8. 文件与曲线 (10)