解像度: 1.972→46.008 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.949 / SU B: 4.154 / SU ML: 0.115 / 交差検証法: THROUGHOUT / ESU R: 0.17 / ESU R Free: 0.145 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.207
970
5.185 %
Rwork
0.1746
17737
-
all
0.176
-
-
obs
-
17737
99.792 %
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: BABINET MODEL PLUS MASK
原子変位パラメータ
Biso mean: 28.71 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.065 Å2
0 Å2
0 Å2
2-
-
0.526 Å2
0 Å2
3-
-
-
0.539 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.972→46.008 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2013
0
15
85
2113
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.013
2110
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
1960
X-RAY DIFFRACTION
r_angle_refined_deg
1.434
1.643
2875
X-RAY DIFFRACTION
r_angle_other_deg
1.301
1.568
4535
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.701
5
268
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.887
21.008
119
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.142
15
351
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
11.96
15
19
X-RAY DIFFRACTION
r_chiral_restr
0.068
0.2
274
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
2385
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
472
X-RAY DIFFRACTION
r_nbd_refined
0.192
0.2
418
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.175
0.2
1826
X-RAY DIFFRACTION
r_nbtor_refined
0.165
0.2
1050
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.077
0.2
971
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.212
0.2
106
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.075
0.2
3
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.187
0.2
9
X-RAY DIFFRACTION
r_nbd_other
0.203
0.2
35
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.466
0.2
18
X-RAY DIFFRACTION
r_mcbond_it
1.648
2.794
1036
X-RAY DIFFRACTION
r_mcbond_other
1.646
2.792
1035
X-RAY DIFFRACTION
r_mcangle_it
2.332
4.184
1298
X-RAY DIFFRACTION
r_mcangle_other
2.333
4.186
1299
X-RAY DIFFRACTION
r_scbond_it
2.817
3.226
1074
X-RAY DIFFRACTION
r_scbond_other
2.748
3.214
1063
X-RAY DIFFRACTION
r_scangle_it
4.282
4.684
1571
X-RAY DIFFRACTION
r_scangle_other
4.279
4.668
1554
X-RAY DIFFRACTION
r_lrange_it
7.699
54.613
8856
X-RAY DIFFRACTION
r_lrange_other
7.57
54.586
8823
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20