解像度: 1.4→34.37 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.963 / SU B: 1.847 / SU ML: 0.034 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.057 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE
Rfactor
反射数
%反射
Selection details
Rfree
0.184
1111
5.1 %
RANDOM
Rwork
0.162
-
-
-
obs
0.163
21706
-
-
all
-
21814
-
-
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: 20.21 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.12 Å2
0 Å2
0 Å2
2-
-
-0.77 Å2
0 Å2
3-
-
-
0.9 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.4→34.37 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
856
0
6
98
960
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
905
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
601
X-RAY DIFFRACTION
r_angle_refined_deg
1.697
1.964
1234
X-RAY DIFFRACTION
r_angle_other_deg
0.977
3
1495
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.305
5
116
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.476
25.897
39
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.727
15
163
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
25.917
15
1
X-RAY DIFFRACTION
r_chiral_restr
0.105
0.2
142
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.021
993
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
163
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
0.99
1.5
555
X-RAY DIFFRACTION
r_mcbond_other
0.279
1.5
223
X-RAY DIFFRACTION
r_mcangle_it
1.7
2
908
X-RAY DIFFRACTION
r_scbond_it
2.666
3
350
X-RAY DIFFRACTION
r_scangle_it
4.313
4.5
322
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: 1.4→1.44 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.251
95
-
Rwork
0.247
1479
-
obs
-
-
99.75 %
精密化 TLS
手法: refined / Origin x: 17.8562 Å / Origin y: 23.5031 Å / Origin z: 27.9014 Å