解像度: 2→31.13 Å / SU ML: 0.22 / 交差検証法: THROUGHOUT / σ(F): 1.34 / 位相誤差: 20.91 / 立体化学のターゲット値: ML 詳細: The entry contains friedel pairs in F_plus/minus columns and I_plus/minus columns
Rfactor
反射数
%反射
Rfree
0.2266
2000
4.34 %
Rwork
0.1788
-
-
obs
0.1809
46109
99.79 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
精密化ステップ
サイクル: LAST / 解像度: 2→31.13 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5440
0
2
446
5888
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.009
X-RAY DIFFRACTION
f_angle_d
0.939
X-RAY DIFFRACTION
f_dihedral_angle_d
5.589
756
X-RAY DIFFRACTION
f_chiral_restr
0.049
876
X-RAY DIFFRACTION
f_plane_restr
0.006
978
LS精密化 シェル
解像度 (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2-2.05
0.2881
135
0.2346
2978
X-RAY DIFFRACTION
99
2.05-2.11
0.2504
141
0.1993
3117
X-RAY DIFFRACTION
100
2.11-2.17
0.2661
141
0.1942
3083
X-RAY DIFFRACTION
100
2.17-2.24
0.248
140
0.1859
3121
X-RAY DIFFRACTION
100
2.24-2.32
0.2456
140
0.1905
3070
X-RAY DIFFRACTION
100
2.32-2.41
0.2662
143
0.1895
3149
X-RAY DIFFRACTION
100
2.41-2.52
0.2348
139
0.1844
3085
X-RAY DIFFRACTION
100
2.52-2.66
0.2491
143
0.1888
3149
X-RAY DIFFRACTION
100
2.66-2.82
0.2316
144
0.1883
3176
X-RAY DIFFRACTION
100
2.82-3.04
0.2391
142
0.1952
3120
X-RAY DIFFRACTION
100
3.04-3.34
0.2472
143
0.1758
3172
X-RAY DIFFRACTION
100
3.34-3.83
0.2104
147
0.1591
3215
X-RAY DIFFRACTION
100
3.83-4.82
0.1528
147
0.1414
3249
X-RAY DIFFRACTION
100
4.82-31.13
0.2346
155
0.1914
3425
X-RAY DIFFRACTION
100
精密化 TLS
手法: refined / Origin x: -8.4218 Å / Origin y: -14.2757 Å / Origin z: 41.0611 Å