解像度: 1.59→11.99 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.934 / SU ML: 0.067 / 交差検証法: THROUGHOUT / σ(F): 3 / ESU R: 0.099 / ESU R Free: 0.097 / 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
0.21465
794
5 %
RANDOM
Rwork
0.18101
-
-
-
obs
0.18271
15125
99.68 %
-
all
-
15847
-
-
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: 25.105 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: 1.59→11.99 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1001
0
10
162
1173
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.021
1041
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.546
1.908
1408
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.377
5
130
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.741
22.745
51
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.897
15
169
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
21.838
15
12
X-RAY DIFFRACTION
r_chiral_restr
0.117
0.2
145
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
803
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
0.982
1.5
638
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.744
2
1014
X-RAY DIFFRACTION
r_scbond_it
2.624
3
403
X-RAY DIFFRACTION
r_scangle_it
4.164
4.5
393
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: 1.59→1.635 Å / Rfactor Rfree error: 0.258 / Total num. of bins used: 20