解像度: 2.46→35.91 Å / Cor.coef. Fo:Fc: 0.917 / Cor.coef. Fo:Fc free: 0.853 / SU B: 43.069 / SU ML: 0.406 / 交差検証法: THROUGHOUT / ESU R: 2.595 / ESU R Free: 0.439 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY
Rfactor
反射数
%反射
Selection details
Rfree
0.30778
996
5.1 %
RANDOM
Rwork
0.24017
-
-
-
obs
0.24356
18604
66.05 %
-
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 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 76.091 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.41 Å2
-0 Å2
3.71 Å2
2-
-
-2.43 Å2
0 Å2
3-
-
-
2.3 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.46→35.91 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4482
0
14
74
4570
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.019
4604
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
4113
X-RAY DIFFRACTION
r_angle_refined_deg
1.215
1.886
6243
X-RAY DIFFRACTION
r_angle_other_deg
0.949
2.934
9565
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.664
5
561
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.564
23.942
208
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.151
15
754
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
15.844
15
27
X-RAY DIFFRACTION
r_chiral_restr
0.067
0.2
692
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
5078
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
951
X-RAY DIFFRACTION
r_mcbond_it
1.168
4.457
2280
X-RAY DIFFRACTION
r_mcbond_other
1.168
4.457
2279
X-RAY DIFFRACTION
r_mcangle_it
2.145
6.676
2829
X-RAY DIFFRACTION
r_mcangle_other
2.145
6.676
2830
X-RAY DIFFRACTION
r_scbond_it
0.836
4.533
2324
X-RAY DIFFRACTION
r_scbond_other
0.836
4.536
2325
X-RAY DIFFRACTION
r_scangle_other
1.558
6.76
3415
X-RAY DIFFRACTION
r_long_range_B_refined
4.133
52.699
5151
X-RAY DIFFRACTION
r_long_range_B_other
4.114
52.672
5142
LS精密化 シェル
解像度: 2.463→2.527 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rwork
0.389
66
-
Rfree
-
1
-
obs
-
-
3.06 %
精密化 TLS
手法: refined / Origin x: 17.509 Å / Origin y: 0.381 Å / Origin z: 31.384 Å