解像度: 1.9→16.9 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.883 / SU B: 4.222 / SU ML: 0.127 / 交差検証法: THROUGHOUT / ESU R: 0.208 / ESU R Free: 0.201 / 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
0.27804
303
4.6 %
RANDOM
Rwork
0.19154
-
-
-
obs
0.19529
6243
99.76 %
-
all
-
6573
-
-
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: 25.11 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: 1.9→16.9 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
810
0
2
57
869
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.019
0.022
832
X-RAY DIFFRACTION
r_angle_refined_deg
1.67
1.954
1130
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.7
5
98
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.158
24.5
40
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.525
15
130
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
1.056
15
2
X-RAY DIFFRACTION
r_chiral_restr
0.102
0.2
124
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
636
X-RAY DIFFRACTION
r_nbd_refined
0.245
0.2
402
X-RAY DIFFRACTION
r_nbtor_refined
0.307
0.2
577
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.244
0.2
52
X-RAY DIFFRACTION
r_metal_ion_refined
0.396
0.2
3
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.372
0.2
79
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.396
0.2
22
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
0.395
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
1.243
1.5
504
X-RAY DIFFRACTION
r_mcangle_it
2.275
2
810
X-RAY DIFFRACTION
r_scbond_it
3.291
3
337
X-RAY DIFFRACTION
r_scangle_it
4.638
4.5
320
LS精密化 シェル
解像度: 1.9→1.949 Å / Rfactor Rfree error: 0.27804 / Total num. of bins used: 20