解像度: 3.1→33.386 Å / Cor.coef. Fo:Fc: 0.93 / Cor.coef. Fo:Fc free: 0.919 / SU B: 22.498 / SU ML: 0.373 / 交差検証法: FREE R-VALUE / ESU R Free: 0.437 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Selection details
Rfree
0.229
468
4.747 %
RANDOM
Rwork
0.2152
-
-
-
all
0.216
-
-
-
obs
-
9858
93.114 %
-
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
原子変位パラメータ
Biso mean: 71.564 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.871 Å2
0 Å2
0 Å2
2-
-
1.617 Å2
0 Å2
3-
-
-
-3.488 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.1→33.386 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3168
0
106
10
3284
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.013
3337
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.017
3142
X-RAY DIFFRACTION
r_ext_dist_refined_d
0
0.01
1
X-RAY DIFFRACTION
r_angle_refined_deg
1.275
1.647
4541
X-RAY DIFFRACTION
r_angle_other_deg
0.601
1.572
7176
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.592
5
417
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.275
20.476
147
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.645
15
470
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.462
15
21
X-RAY DIFFRACTION
r_chiral_restr
0.047
0.2
469
X-RAY DIFFRACTION
r_chiral_restr_other
1.622
0.2
8
X-RAY DIFFRACTION
r_gen_planes_refined
0.052
0.02
3701
X-RAY DIFFRACTION
r_gen_planes_other
0.045
0.02
746
X-RAY DIFFRACTION
r_nbd_refined
0.222
0.2
924
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.2
0.2
3097
X-RAY DIFFRACTION
r_nbtor_refined
0.18
0.2
1732
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.088
0.2
1391
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.174
0.2
92
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.183
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.182
0.2
22
X-RAY DIFFRACTION
r_nbd_other
0.223
0.2
70
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.104
0.2
2
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20