解像度: 1.38→42.624 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.96 / SU B: 0.671 / SU ML: 0.028 / 交差検証法: THROUGHOUT / ESU R: 0.05 / ESU R Free: 0.051 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.1573
4159
4.961 %
Rwork
0.1362
-
-
all
0.137
-
-
obs
-
83827
99.993 %
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: 11.041 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.093 Å2
0 Å2
0 Å2
2-
-
-0.105 Å2
0 Å2
3-
-
-
0.012 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.38→42.624 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
3466
0
54
628
4148
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.019
0.013
3726
X-RAY DIFFRACTION
r_bond_other_d
0
0.017
3344
X-RAY DIFFRACTION
r_angle_refined_deg
1.569
1.645
5082
X-RAY DIFFRACTION
r_angle_other_deg
1.489
1.579
7764
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
13.17
5.246
508
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.251
23.176
170
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.002
15
557
X-RAY DIFFRACTION
r_dihedral_angle_other_3_deg
10.542
15
2
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
23.865
15
16
X-RAY DIFFRACTION
r_chiral_restr
0.077
0.2
495
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
4606
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
748
X-RAY DIFFRACTION
r_nbd_refined
0.214
0.2
771
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.195
0.2
3187
X-RAY DIFFRACTION
r_nbtor_refined
0.169
0.2
1781
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.086
0.2
1545
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.15
0.2
423
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.076
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.208
0.2
18
X-RAY DIFFRACTION
r_nbd_other
0.218
0.2
61
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.161
0.2
45
X-RAY DIFFRACTION
r_mcbond_it
1.433
0.942
1901
X-RAY DIFFRACTION
r_mcbond_other
1.427
0.94
1900
X-RAY DIFFRACTION
r_mcangle_it
2.347
1.406
2380
X-RAY DIFFRACTION
r_mcangle_other
2.347
1.407
2381
X-RAY DIFFRACTION
r_scbond_it
2.113
1.166
1825
X-RAY DIFFRACTION
r_scbond_other
2.114
1.167
1822
X-RAY DIFFRACTION
r_scangle_it
3.212
1.654
2684
X-RAY DIFFRACTION
r_scangle_other
3.214
1.655
2679
X-RAY DIFFRACTION
r_lrange_it
5.179
13.113
4346
X-RAY DIFFRACTION
r_lrange_other
5.062
12.542
4239
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20