解像度: 2.902→30.002 Å / Cor.coef. Fo:Fc: 0.911 / Cor.coef. Fo:Fc free: 0.88 / SU B: 30.768 / SU ML: 0.514 / 交差検証法: FREE R-VALUE / ESU R Free: 0.493 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.3051
1293
-
Rwork
0.2661
17182
-
all
0.269
-
-
obs
-
18475
93.44 %
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: BABINET MODEL PLUS MASK
原子変位パラメータ
Biso mean: 67.189 Å2
Baniso -1
Baniso -2
Baniso -3
1-
4.256 Å2
-0 Å2
-0 Å2
2-
-
4.256 Å2
-0 Å2
3-
-
-
-8.511 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.902→30.002 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4831
0
28
0
4859
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.002
0.013
4977
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
4363
X-RAY DIFFRACTION
r_angle_refined_deg
1.217
1.655
6764
X-RAY DIFFRACTION
r_angle_other_deg
1.047
1.581
10098
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.015
5
625
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.602
21.887
265
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
19.805
15
731
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.164
15
33
X-RAY DIFFRACTION
r_chiral_restr
0.031
0.2
625
X-RAY DIFFRACTION
r_gen_planes_refined
0.002
0.02
5731
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1136
X-RAY DIFFRACTION
r_nbd_refined
0.162
0.2
813
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.173
0.2
4234
X-RAY DIFFRACTION
r_nbtor_refined
0.164
0.2
2341
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.071
0.2
2435
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.205
0.2
128
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.286
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.236
0.2
16
X-RAY DIFFRACTION
r_nbd_other
0.159
0.2
51
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.054
0.2
4
X-RAY DIFFRACTION
r_mcbond_it
2.695
17.206
2515
X-RAY DIFFRACTION
r_mcbond_other
2.691
17.206
2514
X-RAY DIFFRACTION
r_mcangle_it
4.561
24.864
3135
X-RAY DIFFRACTION
r_mcangle_other
4.56
24.865
3136
X-RAY DIFFRACTION
r_scbond_it
2.232
17.372
2462
X-RAY DIFFRACTION
r_scbond_other
2.231
17.372
2462
X-RAY DIFFRACTION
r_scangle_it
3.86
25.012
3629
X-RAY DIFFRACTION
r_scangle_other
3.859
25.013
3630
X-RAY DIFFRACTION
r_lrange_it
6.835
87.606
5175
X-RAY DIFFRACTION
r_lrange_other
6.832
87.585
5173
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20