Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (forward strand)

条目编号 entry_id	8eng
沉积日期 deposition_date	2022-09-29
结构标题 title	Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (forward strand)
关键词 keywords	transcription factor, protein-DNA complex, ETS family, ETS, PU.1, TRANSCRIPTION-DNA complex; TRANSCRIPTION/DNA
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	17.72 Å
回转半径 Rg (电子) rg_electron	16.49 Å
零角强度 I(0) i0	12457600.00
分子量 molecular_weight	20475.0 kDa
排除体积 excluded_volume	23093 ų
包络体积 envelope_volume	29033 ų
水化壳体积 shell_volume	15102 ų
包络直径 envelope_diameter	56.7 Å
壳层 Rg shell_rg	22.11 Å
包络 Rg envelope_rg	16.75 Å
形状 Rg shape_rg	16.41 Å
总 Rg total_rg	17.45 Å
总原子数 total_atoms	2546
残基数 n_residues	124
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	55.8 Å
Rg (实空间) rg_real	17.63 Å
Rg 误差 (实空间) rg_real_error	0.43 Å
I(0) (实空间) i0_real	1.2460e+07
I(0) 误差 (实空间) i0_real_error	1.6680e+05
Rg (倒空间) rg_reciprocal	17.64 Å
I(0) (倒空间) i0_reciprocal	12460000.0000
解质量估计 total_estimate	0.7598
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	5
主峰位置 r_peak_primary	20.8 Å
偏度 Skewness skewness	0.190
峰度 Kurtosis kurtosis	-0.396
角度范围 angular_range	— – 0.4500 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1181000.0000
实空间数据点数 n_real_points	76
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.715; Stabil: 0.909; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

晶胞参数 Unit Cell

晶胞边长 a length_a	42.908 Å
晶胞边长 b length_b	60.829 Å
晶胞边长 c length_c	44.631 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	116.71 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	2

对称性 Symmetry

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	monoclinic

精修参数 Refinement

分辨率 resolution	1.250 Å
最低分辨率 resolution_low	33.350 Å
R 因子 r_factor	0.1361
R_work r_work	0.1353
R_free r_free	0.1581

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/en/8eng/pr_distribution.json
• pr_output /app/data/pr_computation/en/8eng/8eng.pr.out
• pr_plot /app/data/visualization/pr_computation/en/8eng/8eng_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/en/8eng/8eng.dat
• saxs_fit /app/data/saxs_computation/en/8eng/8eng.fit
• saxs_log /app/data/saxs_computation/en/8eng/8eng.log
• saxs_plot /app/data/visualization/saxs_computation/en/8eng/8eng_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/en/8eng/8eng.fit
pddf	/app/data/pr_computation/en/8eng/8eng.pr.out
profile	/app/data/saxs_computation/en/8eng/8eng.dat