構造決定の手法: 分子置換 / 解像度: 1.7→53.598 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.928 / SU B: 3.896 / SU ML: 0.116 / 交差検証法: THROUGHOUT / ESU R: 0.118 / ESU R Free: 0.116 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2392
913
4.827 %
Rwork
0.203
18003
-
all
0.205
-
-
obs
-
18916
99.915 %
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 18.838 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.469 Å2
0 Å2
0 Å2
2-
-
-1.469 Å2
0 Å2
3-
-
-
2.939 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.7→53.598 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1340
0
6
63
1409
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.013
1382
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
1234
X-RAY DIFFRACTION
r_angle_refined_deg
1.555
1.702
1879
X-RAY DIFFRACTION
r_angle_other_deg
1.352
1.624
2842
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.892
5
162
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.937
21.642
67
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.236
15
201
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
23.558
15
7
X-RAY DIFFRACTION
r_chiral_restr
0.071
0.2
169
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
1558
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
336
X-RAY DIFFRACTION
r_nbd_refined
0.207
0.2
296
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.185
0.2
1149
X-RAY DIFFRACTION
r_nbtor_refined
0.174
0.2
688
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.079
0.2
601
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.167
0.2
51
X-RAY DIFFRACTION
r_metal_ion_refined
0.124
0.2
16
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.111
0.2
18
X-RAY DIFFRACTION
r_nbd_other
0.157
0.2
60
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.155
0.2
7
X-RAY DIFFRACTION
r_mcbond_it
1.52
1.807
654
X-RAY DIFFRACTION
r_mcbond_other
1.52
1.803
653
X-RAY DIFFRACTION
r_mcangle_it
2.47
2.694
814
X-RAY DIFFRACTION
r_mcangle_other
2.468
2.7
815
X-RAY DIFFRACTION
r_scbond_it
1.886
2.058
727
X-RAY DIFFRACTION
r_scbond_other
1.888
2.058
724
X-RAY DIFFRACTION
r_scangle_it
3.14
2.989
1064
X-RAY DIFFRACTION
r_scangle_other
3.141
2.989
1062
X-RAY DIFFRACTION
r_lrange_it
5.948
33.82
6457
X-RAY DIFFRACTION
r_lrange_other
5.937
33.799
6429
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20