解像度: 1.87→22.4 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.937 / SU B: 2.648 / SU ML: 0.076 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.108 / ESU R Free: 0.105 / 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
0.21024
7259
5 %
RANDOM
Rwork
0.18457
-
-
-
all
0.18586
144743
-
-
obs
0.18586
144743
99.65 %
-
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: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 20.703 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.87→22.4 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
8238
0
5
1167
9410
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.021
8436
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
7197
X-RAY DIFFRACTION
r_angle_refined_deg
0.989
1.902
11511
X-RAY DIFFRACTION
r_angle_other_deg
0.748
3
16683
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.036
5
1125
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
0.061
0.2
1275
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
9858
X-RAY DIFFRACTION
r_gen_planes_other
0.003
0.02
1815
X-RAY DIFFRACTION
r_nbd_refined
0.183
0.2
1653
X-RAY DIFFRACTION
r_nbd_other
0.232
0.2
8868
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
0.08
0.2
4820
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.116
0.2
873
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
0.075
0.2
11
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.301
0.2
47
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.113
0.2
22
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
0.376
1.5
5529
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.704
2
8769
X-RAY DIFFRACTION
r_scbond_it
1.007
3
2907
X-RAY DIFFRACTION
r_scangle_it
1.658
4.5
2742
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: 1.868→1.916 Å / Total num. of bins used: 20 /