解像度: 1.13→54.369 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.933 / SU B: 2.438 / SU ML: 0.049 / 交差検証法: FREE R-VALUE / ESU R: 0.048 / ESU R Free: 0.051 詳細: Hydrogens have been used if present in the input file
Rfactor
反射数
%反射
Rfree
0.2493
2091
4.96 %
Rwork
0.1994
40065
-
all
0.202
-
-
obs
-
42156
97.464 %
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: 16.146 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.855 Å2
0 Å2
0 Å2
2-
-
-0.855 Å2
0 Å2
3-
-
-
1.709 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.13→54.369 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1001
0
57
158
1216
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.012
0.012
1121
X-RAY DIFFRACTION
r_ext_dist_refined_d
0.01
0.01
1
X-RAY DIFFRACTION
r_angle_refined_deg
1.883
1.575
1525
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.497
5
134
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.195
20.806
62
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.348
15
179
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.888
15
11
X-RAY DIFFRACTION
r_chiral_restr
0.129
0.2
136
X-RAY DIFFRACTION
r_gen_planes_refined
0.013
0.02
872
X-RAY DIFFRACTION
r_nbd_refined
0.22
0.2
599
X-RAY DIFFRACTION
r_nbtor_refined
0.308
0.2
760
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.202
0.2
103
X-RAY DIFFRACTION
r_metal_ion_refined
0.242
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.184
0.2
42
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.279
0.2
25
X-RAY DIFFRACTION
r_mcbond_it
2.014
1.186
530
X-RAY DIFFRACTION
r_mcangle_it
2.322
1.782
666
X-RAY DIFFRACTION
r_scbond_it
3.067
1.52
591
X-RAY DIFFRACTION
r_scangle_it
3.532
2.187
859
X-RAY DIFFRACTION
r_lrange_it
3.978
18.74
1883
X-RAY DIFFRACTION
r_rigid_bond_restr
6.465
3
1121
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20