解像度: 2.301→20 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.911 / WRfactor Rfree: 0.242 / WRfactor Rwork: 0.192 / SU B: 7.291 / SU ML: 0.177 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.245 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. Programs chainsaw, coot and the molprobity server were also used during refinement.
Rfactor
反射数
%反射
Selection details
Rfree
0.271
418
4.766 %
RANDOM
Rwork
0.212
-
-
-
obs
0.215
8770
99.523 %
-
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: MASK BULK SOLVENT
原子変位パラメータ
Biso mean: 32.946 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.669 Å2
0 Å2
0 Å2
2-
-
3.182 Å2
0 Å2
3-
-
-
-1.513 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.301→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1195
0
33
13
1241
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
1252
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
795
X-RAY DIFFRACTION
r_angle_refined_deg
1.399
1.982
1705
X-RAY DIFFRACTION
r_angle_other_deg
0.86
3
1946
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.928
5
154
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
41.483
24.314
51
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.713
15
193
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.669
15
4
X-RAY DIFFRACTION
r_chiral_restr
0.071
0.2
195
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
1371
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
248
X-RAY DIFFRACTION
r_mcbond_it
0.752
1.5
775
X-RAY DIFFRACTION
r_mcbond_other
0.111
1.5
320
X-RAY DIFFRACTION
r_mcangle_it
1.474
2
1241
X-RAY DIFFRACTION
r_scbond_it
1.981
3
477
X-RAY DIFFRACTION
r_scangle_it
3.32
4.5
464
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20