Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins.

条目编号 entry_id	1uz9
沉积日期 deposition_date	2004-03-08
结构标题 title	Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins.
关键词 keywords	INSULIN, DIABETES MELLITUS, INSULIN FAMILY, HORMONE DISEASE MUTATION; INSULIN
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	12.17 Å
回转半径 Rg (电子) rg_electron	11.54 Å
零角强度 I(0) i0	899032.00
分子量 molecular_weight	6276.0 kDa
排除体积 excluded_volume	7906 ų
包络体积 envelope_volume	9102 ų
水化壳体积 shell_volume	7335 ų
包络直径 envelope_diameter	47.8 Å
壳层 Rg shell_rg	16.30 Å
包络 Rg envelope_rg	12.07 Å
形状 Rg shape_rg	11.55 Å
总 Rg total_rg	12.91 Å
总原子数 total_atoms	434
残基数 n_residues	49
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/ų
壳层衬度 contrast_shell	0.0300 e/ų
CRYSOL 版本 crysol_version	4.1.3

最大尺寸 Dmax dmax	51.0 Å
Rg (实空间) rg_real	12.18 Å
Rg 误差 (实空间) rg_real_error	0.51 Å
I(0) (实空间) i0_real	8.9900e+05
I(0) 误差 (实空间) i0_real_error	1.0420e+04
Rg (倒空间) rg_reciprocal	12.18 Å
I(0) (倒空间) i0_reciprocal	899000.0000
解质量估计 total_estimate	0.7469
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	14.8 Å
偏度 Skewness skewness	0.398
峰度 Kurtosis kurtosis	0.209
角度范围 angular_range	— – 0.5000 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	101500.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.370; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.595; Smooth: 0.999

晶胞参数 Unit Cell

晶胞边长 a length_a	51.790 Å
晶胞边长 b length_b	51.790 Å
晶胞边长 c length_c	68.340 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

对称性 Symmetry

空间群 space_group	P 63 2 2
空间群编号 int_tables_number	182
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	1.600 Å
最低分辨率 resolution_low	24.000 Å
R 因子 r_factor	0.1800
R_work r_work	0.1790
R_free r_free	0.2060

衍射实验 Diffraction

实验温度 temperature

120.0 K

Files (7)

• pr_distribution /app/data/pr_computation/uz/1uz9/pr_distribution.json
• pr_output /app/data/pr_computation/uz/1uz9/1uz9.pr.out
• pr_plot /app/data/visualization/pr_computation/uz/1uz9/1uz9_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/uz/1uz9/1uz9.dat
• saxs_fit /app/data/saxs_computation/uz/1uz9/1uz9.fit
• saxs_log /app/data/saxs_computation/uz/1uz9/1uz9.log
• saxs_plot /app/data/visualization/saxs_computation/uz/1uz9/1uz9_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/uz/1uz9/1uz9.fit
pddf	/app/data/pr_computation/uz/1uz9/1uz9.pr.out
profile	/app/data/saxs_computation/uz/1uz9/1uz9.dat