解像度: 1.25→44.28 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.97 / SU B: 0.973 / SU ML: 0.02 / 交差検証法: THROUGHOUT / ESU R: 0.044 / ESU R Free: 0.043 / 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
0.15315
2377
5.1 %
RANDOM
Rwork
0.119
-
-
-
obs
0.12073
44554
88.78 %
-
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
原子変位パラメータ
Biso mean: 10.897 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.17 Å2
-0 Å2
0 Å2
2-
-
0.23 Å2
-0 Å2
3-
-
-
-0.06 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.25→44.28 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1555
0
5
373
1933
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.02
0.019
1660
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1113
X-RAY DIFFRACTION
r_angle_refined_deg
1.842
2
2282
X-RAY DIFFRACTION
r_angle_other_deg
1.091
3
2725
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.429
5
243
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
27.001
21.552
58
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.273
15
259
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
11.859
15
20
X-RAY DIFFRACTION
r_chiral_restr
0.131
0.2
280
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.021
1917
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
331
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
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_rigid_bond_restr
6.267
3
2773
X-RAY DIFFRACTION
r_sphericity_free
23.511
5
70
X-RAY DIFFRACTION
r_sphericity_bonded
8.076
5
3067
LS精密化 シェル
解像度: 1.25→1.282 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.181
97
-
Rwork
0.126
1683
-
obs
-
-
46.87 %
精密化 TLS
手法: refined / Origin x: 11.0228 Å / Origin y: 22.0703 Å / Origin z: 14.3426 Å