解像度: 1.5→100 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 2 立体化学のターゲット値: R. A. Engh and R. Huber, Acta Cryst. Sect. A., 1991 詳細: NCS RESTRAINED
Rfactor
反射数
%反射
Selection details
Rfree
0.214
5771
10.2 %
RANDOM
Rwork
0.191
-
-
-
obs
0.191
50908
86.9 %
-
原子変位パラメータ
Biso mean: 18.6 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.17 Å
0.15 Å
Luzzati d res low
-
6 Å
Luzzati sigma a
0.15 Å
0.14 Å
精密化ステップ
サイクル: LAST / 解像度: 1.5→100 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2672
0
74
334
3080
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
x_bond_d
0.013
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
1.5
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
26.1
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
0.87
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
1.4
1.5
X-RAY DIFFRACTION
x_mcangle_it
1.88
2
X-RAY DIFFRACTION
x_scbond_it
3.07
2
X-RAY DIFFRACTION
x_scangle_it
4.73
2.5
LS精密化 シェル
解像度: 1.5→1.59 Å / Rfactor Rfree error: 0.014 / Total num. of bins used: 6
Rfactor
反射数
%反射
Rfree
0.413
832
10.9 %
Rwork
0.42
6814
-
obs
-
-
71.4 %
Xplor file
Refine-ID
Serial no
Param file
Topol file
X-RAY DIFFRACTION
1
PARAM19.SOL
TOPHCSDX.PRO
X-RAY DIFFRACTION
2
PROTEIN_REP.PARAM
TOPH19.SOL
ソフトウェア
*PLUS
名称: X-PLOR / バージョン: 98.1 / 分類: refinement
精密化
*PLUS
最高解像度: 1.5 Å / 最低解像度: 100 Å / σ(F): 2 / % reflection Rfree: 10.2 %