解像度: 1.4→25.32 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.967 / SU B: 0.982 / SU ML: 0.038 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.072 / ESU R Free: 0.064 / 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
0.16454
1929
5.1 %
RANDOM
Rwork
0.13337
-
-
-
obs
0.13503
35599
64.83 %
-
all
-
37528
-
-
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: 17.719 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.16 Å2
0 Å2
0 Å2
2-
-
0.16 Å2
0 Å2
3-
-
-
-0.31 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.4→25.32 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1602
0
26
326
1954
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.02
0.022
1659
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
1489
X-RAY DIFFRACTION
r_angle_refined_deg
1.856
1.963
2223
X-RAY DIFFRACTION
r_angle_other_deg
1.008
3
3466
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.325
5
178
X-RAY DIFFRACTION
r_chiral_restr
0.132
0.2
234
X-RAY DIFFRACTION
r_gen_planes_refined
0.014
0.02
1726
X-RAY DIFFRACTION
r_gen_planes_other
0.019
0.02
355
X-RAY DIFFRACTION
r_nbd_refined
0.501
0.2
413
X-RAY DIFFRACTION
r_nbd_other
0.252
0.2
1635
X-RAY DIFFRACTION
r_nbtor_other
0.086
0.2
933
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.249
0.2
239
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.301
0.2
13
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.385
0.2
66
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.29
0.2
26
X-RAY DIFFRACTION
r_mcbond_it
1.73
1.5
962
X-RAY DIFFRACTION
r_mcangle_it
2.586
2
1534
X-RAY DIFFRACTION
r_scbond_it
3.304
3
697
X-RAY DIFFRACTION
r_scangle_it
4.797
4.5
689
X-RAY DIFFRACTION
r_rigid_bond_restr
1.947
2
1659
X-RAY DIFFRACTION
r_sphericity_free
5.48
2
327
X-RAY DIFFRACTION
r_sphericity_bonded
3.822
2
1627
LS精密化 シェル
解像度: 1.402→1.439 Å / Total num. of bins used: 20 /