解像度: 3.15→48.44 Å / Cor.coef. Fo:Fc: 0.912 / Cor.coef. Fo:Fc free: 0.891 / SU B: 42.262 / SU ML: 0.318 / 交差検証法: THROUGHOUT / ESU R Free: 0.442 / 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
0.24707
717
5 %
RANDOM
Rwork
0.215
-
-
-
obs
0.21658
13635
99.1 %
-
all
-
13635
-
-
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: 63.122 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.03 Å2
1.02 Å2
0 Å2
2-
-
2.03 Å2
0 Å2
3-
-
-
-3.05 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.15→48.44 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4213
0
6
0
4219
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.02
4346
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
4023
X-RAY DIFFRACTION
r_angle_refined_deg
1.006
1.949
5914
X-RAY DIFFRACTION
r_angle_other_deg
0.648
3
9280
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.899
5
519
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.604
24.183
208
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.215
15
696
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.263
15
18
X-RAY DIFFRACTION
r_chiral_restr
0.058
0.2
638
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.021
4898
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1032
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
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 3.15→3.236 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.338
49
-
Rwork
0.299
957
-
obs
-
-
97.76 %
精密化 TLS
手法: refined / Origin x: 14.3216 Å / Origin y: 60.191 Å / Origin z: 3.0396 Å