解像度: 2→47.626 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.939 / SU B: 6.784 / SU ML: 0.176 / 交差検証法: THROUGHOUT / ESU R: 0.232 / ESU R Free: 0.185 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2556
1177
4.881 %
Rwork
0.2241
22937
-
all
0.226
-
-
obs
-
24114
99.76 %
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: 49.345 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.979 Å2
0 Å2
1.075 Å2
2-
-
0.663 Å2
0 Å2
3-
-
-
-2.762 Å2
精密化ステップ
サイクル: LAST / 解像度: 2→47.626 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2849
0
0
62
2911
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.012
2889
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.016
2820
X-RAY DIFFRACTION
r_angle_refined_deg
1.6
1.644
3879
X-RAY DIFFRACTION
r_angle_other_deg
0.505
1.565
6595
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.701
5
357
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
4.703
5
21
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.364
10
589
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
16.335
10
125
X-RAY DIFFRACTION
r_chiral_restr
0.072
0.2
445
X-RAY DIFFRACTION
r_chiral_restr_other
0.037
0.2
1
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
3199
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
517
X-RAY DIFFRACTION
r_nbd_refined
0.174
0.2
479
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.185
0.2
2593
X-RAY DIFFRACTION
r_nbtor_refined
0.161
0.2
1404
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.076
0.2
1574
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.168
0.2
93
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.13
0.2
10
X-RAY DIFFRACTION
r_nbd_other
0.205
0.2
47
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.211
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
5.225
4.62
1434
X-RAY DIFFRACTION
r_mcbond_other
5.224
4.62
1434
X-RAY DIFFRACTION
r_mcangle_it
6.889
6.92
1789
X-RAY DIFFRACTION
r_mcangle_other
6.887
6.921
1790
X-RAY DIFFRACTION
r_scbond_it
6.798
5.478
1455
X-RAY DIFFRACTION
r_scbond_other
6.797
5.476
1454
X-RAY DIFFRACTION
r_scangle_it
9.65
7.876
2090
X-RAY DIFFRACTION
r_scangle_other
9.647
7.877
2091
X-RAY DIFFRACTION
r_lrange_it
11.68
92.243
11497
X-RAY DIFFRACTION
r_lrange_other
11.681
92.246
11492
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20