解像度: 2.1→19.41 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.921 / SU B: 10.48 / SU ML: 0.126 / 交差検証法: THROUGHOUT / ESU R Free: 0.198 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.238
423
5 %
RANDOM
Rwork
0.169
-
-
-
obs
0.173
8029
-
-
all
-
8452
-
-
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: 1.4 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 21.57 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.62 Å2
0 Å2
0 Å2
2-
-
-0.48 Å2
0 Å2
3-
-
-
1.1 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.1→19.41 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1060
0
34
108
1202
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.021
0.022
1134
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
751
X-RAY DIFFRACTION
r_angle_refined_deg
1.824
1.98
1536
X-RAY DIFFRACTION
r_angle_other_deg
0.993
3
1849
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.859
5
137
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.828
25.6
50
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.667
15
186
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
37.366
15
1
X-RAY DIFFRACTION
r_chiral_restr
0.111
0.2
162
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.021
1247
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
213
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
0.869
1.5
677
X-RAY DIFFRACTION
r_mcbond_other
0.244
1.5
276
X-RAY DIFFRACTION
r_mcangle_it
1.567
2
1099
X-RAY DIFFRACTION
r_scbond_it
2.7
3
457
X-RAY DIFFRACTION
r_scangle_it
3.92
4.5
437
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 2.1→2.15 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.222
24
-
Rwork
0.169
447
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: 18.0308 Å / Origin y: 15.166 Å / Origin z: -11.8731 Å