解像度: 2.5→20 Å / Cor.coef. Fo:Fc: 0.959 / SU B: 5.213 / SU ML: 0.119 / 交差検証法: THROUGHOUT / ESU R: 0.389 / 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
0.208
1321
5.1 %
RANDOM
Rwork
0.17293
-
-
-
obs
0.17293
25949
99.73 %
-
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: 43.89 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.62 Å2
-0.31 Å2
0 Å2
2-
-
-0.62 Å2
0 Å2
3-
-
-
0.92 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.5→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4383
0
41
256
4680
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.022
4822
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.209
1.96
6626
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.226
5
634
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.48
23.733
217
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.716
15
719
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.271
15
37
X-RAY DIFFRACTION
r_chiral_restr
0.081
0.2
736
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
3820
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.202
0.2
2217
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.305
0.2
3279
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.131
0.2
328
X-RAY DIFFRACTION
r_xyhbond_nbd_other
0.029
0.2
1
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.166
0.2
48
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.132
0.2
13
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
0.587
1.5
3117
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.024
2
4958
X-RAY DIFFRACTION
r_scbond_it
1.385
3
1941
X-RAY DIFFRACTION
r_scangle_it
2.254
4.5
1668
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: 2.504→2.568 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rwork
0.225
1833
-
Rfree
-
0
-
obs
-
-
99.08 %
精密化 TLS
手法: refined / Origin x: 15.808 Å / Origin y: 64.846 Å / Origin z: -0.254 Å