解像度: 2.1→2.17 Å / % possible obs: 78 % / 冗長度: 1.5 % / Rmerge(I) obs: 0.137 / % possible all: 78
-
解析
ソフトウェア
名称
分類
DENZO
データ削減
SCALEPACK
データスケーリング
X-PLOR
モデル構築
X-PLOR
精密化
X-PLOR
位相決定
精密化
解像度: 2.1→8 Å / Data cutoff high absF: 100000 / Data cutoff low absF: 1 / 交差検証法: THROUGHOUT / σ(F): 2 / σ(I): 4 / 立体化学のターゲット値: ENGH & HUBER
Rfactor
反射数
%反射
Selection details
Rfree
0.27
-
5 %
random
Rwork
0.191
-
-
-
obs
0.208
25077
87 %
-
精密化ステップ
サイクル: LAST / 解像度: 2.1→8 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5100
0
0
479
5579
拘束条件
Refine-ID
タイプ
Dev ideal
X-RAY DIFFRACTION
x_bond_d
0.007
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.4
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
22.3
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
1.12
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
X-RAY DIFFRACTION
x_mcangle_it
X-RAY DIFFRACTION
x_scbond_it
X-RAY DIFFRACTION
x_scangle_it
Refine LS restraints NCS
NCS model details: Monomers A and B restrained with positional weight of 60 kcal/mol/A2 for main- chain atoms and 30 kcal/mol/A2 for side chain atoms. B-factor sigmas were 10 and 4 A2 for main and side chain atoms
ソフトウェア
*PLUS
名称: X-PLOR / 分類: refinement
精密化
*PLUS
最高解像度: 2.1 Å / 最低解像度: 8 Å / σ(F): 2 / % reflection Rfree: 5 % / Rfactor Rfree: 0.27