9d0i

;Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with Se-cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.45A resolution ;

Method: X-RAY DIFFRACTION Dmax: 374.5 Å Quality: EXCELLENT

SAXS 散射曲线 SAXS Profile

SAXS profile for 9d0i

P(r) 距离分布 P(r) Distribution

P(r) distribution for 9d0i
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id9d0i
沉积日期 deposition_date2024-08-07
结构标题 title;Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with Se-cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.45A resolution ;
关键词 keywords;Cresomycin glycosides; lincosamides; structure-based drug design; antibiotic; 70S ribosome; X-ray structure; inhibition of translation; peptidyl transferase center; nascent peptide exit tunnel, RIBOSOME ;; RIBOSOME
实验方法 methodX-RAY DIFFRACTION

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

回转半径 Rg (Guinier) rg_guinier
回转半径 Rg (电子) rg_electron135.30
零角强度 I(0) i0899917000000.00
分子量 molecular_weight4202700.0 kDa
排除体积 excluded_volume3435400 ų
包络体积 envelope_volume8482900 ų
水化壳体积 shell_volume508350 ų
包络直径 envelope_diameter474.6
壳层 Rg shell_rg127.70
包络 Rg envelope_rg133.30
形状 Rg shape_rg135.50
总 Rg total_rg135.00
总原子数 total_atoms295729
残基数 n_residues20861
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 −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

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

最大尺寸 Dmax dmax374.5
Rg (实空间) rg_real128.70
Rg 误差 (实空间) rg_real_error1.51
I(0) (实空间) i0_real8.6430e+11
I(0) 误差 (实空间) i0_real_error1.8360e+10
Rg (倒空间) rg_reciprocal118.20
I(0) (倒空间) i0_reciprocal846100000000.0000
解质量估计 total_estimate0.9056
解质量评级 solution_quality EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary136.2
偏度 Skewness skewness0.365
峰度 Kurtosis kurtosis-0.715
角度范围 angular_range— – 0.0550 −1
当前正则化参数 α current_alpha1.0170
最高正则化参数 α highest_alpha13810000000.0000
实空间数据点数 n_real_points12
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.002; Oscil: 0.974; Stabil: 0.972; Sysdev: 1.000; Positv: 1.000; Valcen: 0.937; Smooth: 0.000

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

5. 实体与聚合体信息 (61)

7. 引用文献 (1)

8. 文件与曲线 (10)