解像度: 2.49→19.81 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.872 / SU B: 12.779 / SU ML: 0.277 / 交差検証法: THROUGHOUT / σ(F): 2.01 / ESU R Free: 0.35 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.2721
4579
5 %
RANDOM
Rwork
0.22298
-
-
-
obs
0.22544
86846
96.69 %
-
all
-
91429
-
-
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
原子変位パラメータ
Biso mean: 27.069 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.91 Å2
0.21 Å2
-1.64 Å2
2-
-
1 Å2
-0.24 Å2
3-
-
-
-1.5 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.49→19.81 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
21150
0
156
410
21716
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.017
0.021
21868
X-RAY DIFFRACTION
r_angle_refined_deg
1.634
1.956
29835
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.235
5
2786
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.555
23.313
990
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.625
15
3269
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
22.458
15
177
X-RAY DIFFRACTION
r_chiral_restr
0.097
0.2
3283
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.021
17017
X-RAY DIFFRACTION
r_mcbond_it
0.566
1.5
13778
X-RAY DIFFRACTION
r_mcangle_it
1.064
2
22035
X-RAY DIFFRACTION
r_scbond_it
1.572
3
8090
X-RAY DIFFRACTION
r_scangle_it
2.603
4.5
7793
Refine LS restraints NCS
Dom-ID: 1 / Auth asym-ID: A / Refine-ID: X-RAY DIFFRACTION