構造決定の手法: 単波長異常分散 / 解像度: 1.73→13.963 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.933 / SU ML: 0.093 / 交差検証法: THROUGHOUT / ESU R: 0.145 / ESU R Free: 0.141 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN DADED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.23313
147
4.3 %
RANDOM
Rwork
0.18214
-
-
-
obs
0.1844
2497
86.21 %
-
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: 21.682 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.73→13.963 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
0
202
52
87
341
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.021
0.021
290
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
2.722
3
456
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
X-RAY DIFFRACTION
r_chiral_restr
0.141
0.2
43
X-RAY DIFFRACTION
r_gen_planes_refined
0.022
0.02
155
X-RAY DIFFRACTION
r_gen_planes_other
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
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
X-RAY DIFFRACTION
r_scbond_it
2.925
3
290
X-RAY DIFFRACTION
r_scangle_it
3.75
4.5
456
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: 1.734→1.778 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.024
1
-
Rwork
0.294
45
-
obs
-
-
16.14 %
精密化 TLS
手法: refined / Origin x: 10.9142 Å / Origin y: -9.1098 Å / Origin z: 6.8128 Å