構造決定の手法: 分子置換 / 解像度: 1.12→45.648 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.97 / SU B: 0.556 / SU ML: 0.013 / 交差検証法: THROUGHOUT / ESU R: 0.025 / ESU R Free: 0.025 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.1455
2537
4.988 %
Rwork
0.13
48329
-
all
0.131
-
-
obs
-
50866
99.626 %
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: 10.321 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.555 Å2
0 Å2
0 Å2
2-
-
-0.7 Å2
-0 Å2
3-
-
-
-0.855 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.12→45.648 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
814
0
47
214
1075
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.012
898
X-RAY DIFFRACTION
r_bond_other_d
0.006
0.016
824
X-RAY DIFFRACTION
r_angle_refined_deg
1.878
1.707
1225
X-RAY DIFFRACTION
r_angle_other_deg
0.864
1.619
1901
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.059
5
112
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
4.006
5
6
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.306
10
137
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
17.161
10
36
X-RAY DIFFRACTION
r_chiral_restr
0.165
0.2
133
X-RAY DIFFRACTION
r_chiral_restr_other
2.231
0.2
5
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.02
1054
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
201
X-RAY DIFFRACTION
r_nbd_refined
0.235
0.2
145
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.203
0.2
753
X-RAY DIFFRACTION
r_nbtor_refined
0.179
0.2
435
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.089
0.2
452
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.275
0.2
133
X-RAY DIFFRACTION
r_metal_ion_refined
0.154
0.2
5
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.253
0.2
5
X-RAY DIFFRACTION
r_nbd_other
0.176
0.2
28
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.335
0.2
23
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
0.099
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
0.687
0.971
445
X-RAY DIFFRACTION
r_mcbond_other
0.687
0.971
444
X-RAY DIFFRACTION
r_mcangle_it
0.873
1.755
558
X-RAY DIFFRACTION
r_mcangle_other
0.872
1.754
559
X-RAY DIFFRACTION
r_scbond_it
1.337
1.171
453
X-RAY DIFFRACTION
r_scbond_other
1.329
1.169
450
X-RAY DIFFRACTION
r_scangle_it
1.659
2.053
667
X-RAY DIFFRACTION
r_scangle_other
1.645
2.045
662
X-RAY DIFFRACTION
r_lrange_it
2.808
14.681
1080
X-RAY DIFFRACTION
r_lrange_other
2.107
11.038
978
X-RAY DIFFRACTION
r_rigid_bond_restr
5.011
3
1722
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20