解像度: 1.5→37.51 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.952 / SU B: 3.23 / SU ML: 0.054 / Isotropic thermal model: Anisotropic / 交差検証法: THROUGHOUT / ESU R Free: 0.085 / 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
0.20965
1875
5 %
RANDOM
Rwork
0.17087
-
-
-
obs
0.17275
35492
95.03 %
-
all
-
37348
-
-
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: 15.696 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.5→37.51 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2220
0
2
181
2403
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.022
2316
X-RAY DIFFRACTION
r_angle_refined_deg
1.324
1.962
3165
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.384
5
286
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.642
23.604
111
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.077
15
365
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.631
15
15
X-RAY DIFFRACTION
r_chiral_restr
0.088
0.2
343
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.021
1810
X-RAY DIFFRACTION
r_mcbond_it
1.012
1.5
1404
X-RAY DIFFRACTION
r_mcangle_it
1.72
2
2271
X-RAY DIFFRACTION
r_scbond_it
2.501
3
912
X-RAY DIFFRACTION
r_scangle_it
3.77
4.5
890
X-RAY DIFFRACTION
r_rigid_bond_restr
1.404
3
2316
X-RAY DIFFRACTION
r_sphericity_free
3.653
3
183
X-RAY DIFFRACTION
r_sphericity_bonded
2.596
3
2246
LS精密化 シェル
解像度: 1.5→1.539 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.305
122
-
Rwork
0.253
2300
-
obs
-
-
82.75 %
精密化 TLS
手法: refined / Origin x: 0.7285 Å / Origin y: 0.1894 Å / Origin z: -0.1454 Å