解像度: 2.2→54.23 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.921 / 交差検証法: THROUGHOUT / ESU R: 0.462 / ESU R Free: 0.24 / 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
0.23603
430
4.8 %
RANDOM
Rwork
0.2033
-
-
-
obs
0.20491
8471
95.93 %
-
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: 26.877 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.27 Å2
0.13 Å2
0 Å2
2-
-
0.27 Å2
0 Å2
3-
-
-
-0.4 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.2→54.23 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1516
0
80
100
1696
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
1631
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.578
2.036
2221
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.964
5
198
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
42.495
25.273
55
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.782
15
276
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.464
15
6
X-RAY DIFFRACTION
r_chiral_restr
0.094
0.2
263
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
1164
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.21
0.2
758
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.312
0.2
1086
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.197
0.2
87
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
0.219
0.2
37
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.167
0.2
5
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
0.667
1.5
981
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.131
2
1594
X-RAY DIFFRACTION
r_scbond_it
1.787
3
650
X-RAY DIFFRACTION
r_scangle_it
2.593
4.5
626
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
Refine LS restraints NCS
Dom-ID: 1 / Auth asym-ID: A / Refine-ID: X-RAY DIFFRACTION