解像度: 1.9→27.39 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.936 / SU B: 6.773 / SU ML: 0.093 / 交差検証法: THROUGHOUT / ESU R: 0.159 / ESU R Free: 0.145 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.22149
712
5 %
RANDOM
Rwork
0.17838
-
-
-
obs
0.18038
13511
99.94 %
-
all
-
14232
-
-
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: 24.019 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.82 Å2
0.91 Å2
0 Å2
2-
-
1.82 Å2
0 Å2
3-
-
-
-2.74 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.9→27.39 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1345
0
8
181
1534
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
1394
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.527
1.971
1902
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.624
5
188
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.469
20.526
57
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.956
15
216
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.579
15
23
X-RAY DIFFRACTION
r_chiral_restr
0.102
0.2
227
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.021
1065
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
0.935
1.5
914
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.636
2
1455
X-RAY DIFFRACTION
r_scbond_it
2.413
3
480
X-RAY DIFFRACTION
r_scangle_it
3.817
4.5
443
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: 1.9→1.949 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.198
51
-
Rwork
0.182
955
-
obs
-
-
100 %
精密化 TLS
手法: refined / Origin x: -29.1623 Å / Origin y: 14.9662 Å / Origin z: 7.4965 Å