解像度: 2.6→47.72 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.88 / SU B: 21.696 / SU ML: 0.222 / 交差検証法: THROUGHOUT / σ(F): 2 / ESU R Free: 0.301 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.261
814
4.9 %
RANDOM
Rwork
0.205
-
-
-
obs
0.208
15902
100 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 31.52 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.01 Å2
0 Å2
0 Å2
2-
-
0.01 Å2
0 Å2
3-
-
-
-0.01 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.6→47.72 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2966
0
30
69
3065
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
3050
X-RAY DIFFRACTION
r_angle_refined_deg
1.669
1.956
4156
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.27
5
375
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.294
23.881
134
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
18.417
15
472
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.709
15
15
X-RAY DIFFRACTION
r_chiral_restr
0.108
0.2
457
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.021
2332
X-RAY DIFFRACTION
r_mcbond_it
0.728
1.5
1870
X-RAY DIFFRACTION
r_mcangle_it
1.346
2
3021
X-RAY DIFFRACTION
r_scbond_it
1.918
3
1180
X-RAY DIFFRACTION
r_scangle_it
3.153
4.5
1135
LS精密化 シェル
解像度: 2.6→2.67 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.297
53
-
Rwork
0.281
1142
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: -14.6555 Å / Origin y: 41.428 Å / Origin z: -0.2475 Å