解像度: 1.482→30 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.948 / SU B: 1.569 / SU ML: 0.059 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.085 / ESU R Free: 0.083 / 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
0.22835
1570
5 %
RANDOM
Rwork
0.2029
-
-
-
all
0.2042
30649
-
-
obs
0.2042
29676
98.28 %
-
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: 16.467 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.31 Å2
0 Å2
0 Å2
2-
-
0.31 Å2
0 Å2
3-
-
-
-0.63 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.482→30 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1481
0
3
201
1685
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.022
1537
X-RAY DIFFRACTION
r_bond_other_d
0
0.02
1546
X-RAY DIFFRACTION
r_angle_refined_deg
1.093
1.986
2071
X-RAY DIFFRACTION
r_angle_other_deg
0.659
3
3565
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
14.204
5
189
X-RAY DIFFRACTION
r_chiral_restr
0.084
0.2
251
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1653
X-RAY DIFFRACTION
r_gen_planes_other
0
0.02
303
X-RAY DIFFRACTION
r_nbd_refined
0.246
0.2
350
X-RAY DIFFRACTION
r_nbd_other
0.266
0.2
1828
X-RAY DIFFRACTION
r_nbtor_other
0.085
0.2
979
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.137
0.2
104
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.3
0.2
13
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.356
0.2
68
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.185
0.2
19
X-RAY DIFFRACTION
r_mcbond_it
1.708
1.5
956
X-RAY DIFFRACTION
r_mcangle_it
2.692
2
1553
X-RAY DIFFRACTION
r_scbond_it
3.905
3
581
X-RAY DIFFRACTION
r_scangle_it
5.95
4.5
518
LS精密化 シェル
解像度: 1.482→1.521 Å / Total num. of bins used: 20 /