解像度: 1.55→24.6 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.964 / SU B: 1.205 / SU ML: 0.044 / 交差検証法: THROUGHOUT / σ(F): 2 / ESU R: 0.094 / ESU R Free: 0.076 / 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
0.17388
1889
7.2 %
RANDOM
Rwork
0.12427
-
-
-
all
0.172
26208
-
-
obs
0.12779
24319
98.74 %
-
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: 13.456 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.5 Å2
0 Å2
0 Å2
2-
-
-0.5 Å2
0 Å2
3-
-
-
1.01 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.55→24.6 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1508
0
9
294
1811
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.022
1553
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1343
X-RAY DIFFRACTION
r_angle_refined_deg
1.544
1.943
2090
X-RAY DIFFRACTION
r_angle_other_deg
0.849
3
3159
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.767
5
184
X-RAY DIFFRACTION
r_chiral_restr
0.103
0.2
214
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
1737
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
321
X-RAY DIFFRACTION
r_nbd_refined
0.215
0.2
249
X-RAY DIFFRACTION
r_nbd_other
0.262
0.2
1510
X-RAY DIFFRACTION
r_nbtor_other
0.08
0.2
907
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.134
0.2
193
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.238
0.2
15
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.244
0.2
53
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.184
0.2
50
X-RAY DIFFRACTION
r_mcbond_it
2.414
2
920
X-RAY DIFFRACTION
r_mcangle_it
3.266
4
1484
X-RAY DIFFRACTION
r_scbond_it
3.612
4
633
X-RAY DIFFRACTION
r_scangle_it
5.169
6
606
X-RAY DIFFRACTION
r_rigid_bond_restr
2.122
2.5
1553
X-RAY DIFFRACTION
r_sphericity_free
4.537
2
291
X-RAY DIFFRACTION
r_sphericity_bonded
3.612
2
1520
LS精密化 シェル
解像度: 1.551→1.591 Å / Rfactor Rfree error: 0.07 / Total num. of bins used: 20