解像度: 1.54→27.53 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.966 / SU B: 3.184 / SU ML: 0.05 / 交差検証法: THROUGHOUT / σ(F): 2 / ESU R Free: 0.086 / 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
0.1894
982
5 %
RANDOM
Rwork
0.1476
-
-
-
all
0.151
19640
-
-
obs
0.14974
18518
86.2 %
-
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: 1.2 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 13.386 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.04 Å2
0 Å2
0 Å2
2-
-
0.04 Å2
0 Å2
3-
-
-
-0.08 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.54→27.53 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1230
0
0
120
1350
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.022
1294
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
887
X-RAY DIFFRACTION
r_angle_refined_deg
1.23
1.948
1744
X-RAY DIFFRACTION
r_angle_other_deg
0.883
3
2180
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.79
5
163
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
29.86
24.364
55
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.807
15
226
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.77
15
5
X-RAY DIFFRACTION
r_chiral_restr
0.079
0.2
191
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.021
1440
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
260
X-RAY DIFFRACTION
r_mcbond_it
0.921
1.5
810
X-RAY DIFFRACTION
r_mcbond_other
0.245
1.5
342
X-RAY DIFFRACTION
r_mcangle_it
1.501
2
1310
X-RAY DIFFRACTION
r_scbond_it
2.185
3
484
X-RAY DIFFRACTION
r_scangle_it
3.209
4.5
434
X-RAY DIFFRACTION
r_rigid_bond_restr
0.837
3
2181
LS精密化 シェル
解像度: 1.54→1.62 Å / Num. reflection Rwork: 1196 / Total num. of bins used: 20