解像度: 1.6→39.679 Å / SU ML: 0.19 / σ(F): 0.01 / 位相誤差: 19.94 / 立体化学のターゲット値: ML 詳細: CRYSTALLIZATION WAS SET UP WITH FULL-LENGTH FTSY. THE MODEL INCLUDES THE NG PLUS 9 STRUCTURE AND THE A DOMAIN IS NOT PRESENT IN THE CRYSTALS.
Rfactor
反射数
%反射
Rfree
0.2198
1824
5 %
Rwork
0.1782
-
-
obs
0.1803
36676
98.36 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 42.021 Å2 / ksol: 0.386 e/Å3
原子変位パラメータ
Biso mean: 17.55 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.7037 Å2
0 Å2
0 Å2
2-
-
1.4495 Å2
0 Å2
3-
-
-
-0.7458 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.6→39.679 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2369
0
20
214
2603
拘束条件
Refine-ID
タイプ
Dev ideal
数
X-RAY DIFFRACTION
f_bond_d
0.006
2476
X-RAY DIFFRACTION
f_angle_d
1.006
3335
X-RAY DIFFRACTION
f_dihedral_angle_d
15.253
948
X-RAY DIFFRACTION
f_chiral_restr
0.065
386
X-RAY DIFFRACTION
f_plane_restr
0.004
434
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 (%)
1.6-1.6572
0.3097
172
0.2714
3377
X-RAY DIFFRACTION
97
1.6572-1.7236
0.2942
160
0.2443
3379
X-RAY DIFFRACTION
97
1.7236-1.802
0.2541
159
0.2072
3372
X-RAY DIFFRACTION
96
1.802-1.897
0.2151
189
0.1805
3395
X-RAY DIFFRACTION
97
1.897-2.0159
0.25
152
0.1655
3459
X-RAY DIFFRACTION
98
2.0159-2.1715
0.2172
186
0.1596
3492
X-RAY DIFFRACTION
99
2.1715-2.39
0.2207
202
0.1611
3488
X-RAY DIFFRACTION
100
2.39-2.7358
0.2355
210
0.1705
3533
X-RAY DIFFRACTION
100
2.7358-3.4465
0.1918
184
0.1666
3610
X-RAY DIFFRACTION
100
3.4465-39.6912
0.1876
210
0.1672
3747
X-RAY DIFFRACTION
100
精密化 TLS
手法: refined / Origin x: -27.5794 Å / Origin y: 12.977 Å / Origin z: -10.8261 Å