解像度: 1.85→50 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.929 / 交差検証法: THROUGHOUT / ESU R Free: 0.129 / 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
0.23678
1221
5.1 %
RANDOM
Rwork
0.19802
-
-
-
all
0.1999
22661
-
-
obs
0.1999
22661
97.82 %
-
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: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 25.129 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.9 Å2
0 Å2
0 Å2
2-
-
1.08 Å2
0 Å2
3-
-
-
-0.18 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.85→50 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1730
0
0
155
1885
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
1780
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1620
X-RAY DIFFRACTION
r_angle_refined_deg
1.599
1.943
2427
X-RAY DIFFRACTION
r_angle_other_deg
0.855
3
3760
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.169
5
227
X-RAY DIFFRACTION
r_chiral_restr
0.099
0.2
270
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
1987
X-RAY DIFFRACTION
r_gen_planes_other
0.003
0.02
355
X-RAY DIFFRACTION
r_nbd_refined
0.186
0.2
311
X-RAY DIFFRACTION
r_nbd_other
0.241
0.2
1897
X-RAY DIFFRACTION
r_nbtor_other
0.083
0.2
1035
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.219
0.2
97
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.041
0.2
2
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.29
0.2
28
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.156
0.2
11
X-RAY DIFFRACTION
r_mcbond_it
3.36
5
1135
X-RAY DIFFRACTION
r_mcangle_it
4.352
6
1827
X-RAY DIFFRACTION
r_scbond_it
3.853
5
645
X-RAY DIFFRACTION
r_scangle_it
5.502
7.5
600
LS精密化 シェル
解像度: 1.845→1.893 Å / Total num. of bins used: 20 /