解像度: 2→58.847 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.946 / SU B: 5.022 / SU ML: 0.132 / 交差検証法: FREE R-VALUE / ESU R: 0.189 / ESU R Free: 0.163 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rfree
0.2252
2989
5.018 %
Rwork
0.183
56578
-
all
0.185
-
-
obs
-
59567
99.963 %
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 34.103 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.185 Å2
-0 Å2
0 Å2
2-
-
0.145 Å2
-0 Å2
3-
-
-
0.041 Å2
精密化ステップ
サイクル: LAST / 解像度: 2→58.847 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6738
0
89
331
7158
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.012
7000
X-RAY DIFFRACTION
r_angle_refined_deg
1.407
1.637
9502
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.39
5
851
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.994
23.353
340
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.903
15
1219
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.07
15
33
X-RAY DIFFRACTION
r_chiral_restr
0.096
0.2
917
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
5271
X-RAY DIFFRACTION
r_nbd_refined
0.207
0.2
3306
X-RAY DIFFRACTION
r_nbtor_refined
0.312
0.2
4764
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.143
0.2
388
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.236
0.2
54
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.216
0.2
11
X-RAY DIFFRACTION
r_mcbond_it
2.541
3.242
3407
X-RAY DIFFRACTION
r_mcangle_it
3.394
4.85
4254
X-RAY DIFFRACTION
r_scbond_it
3.667
3.506
3592
X-RAY DIFFRACTION
r_scangle_it
5.078
5.128
5247
X-RAY DIFFRACTION
r_lrange_it
6.167
44.434
10723
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.056
0.05
14246
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
B
X-RAY DIFFRACTION
Localncs
0.05565
0.05009
1
2
A
X-RAY DIFFRACTION
Localncs
0.05565
0.05009
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20