解像度: 2.07→28.99 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.923 / SU B: 3.825 / SU ML: 0.103 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.192 / ESU R Free: 0.166 / 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
0.2209
1340
5 %
RANDOM
Rwork
0.18234
-
-
-
all
0.18425
26802
-
-
obs
0.18425
26802
95.14 %
-
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: 19.951 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: 2.07→28.99 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2753
0
5
369
3127
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.007
0.021
2823
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
2424
X-RAY DIFFRACTION
r_angle_refined_deg
1.026
1.902
3848
X-RAY DIFFRACTION
r_angle_other_deg
0.765
3
5609
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.283
5
375
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
X-RAY DIFFRACTION
r_chiral_restr
0.063
0.2
426
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
3290
X-RAY DIFFRACTION
r_gen_planes_other
0.004
0.02
617
X-RAY DIFFRACTION
r_nbd_refined
0.211
0.2
556
X-RAY DIFFRACTION
r_nbd_other
0.234
0.2
2876
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
0.081
0.2
1547
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.128
0.2
244
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
0.088
0.2
1
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.123
0.2
21
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.261
0.2
119
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.178
0.2
30
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
0.539
2
1843
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
0.934
3
2918
X-RAY DIFFRACTION
r_scbond_it
0.596
2
980
X-RAY DIFFRACTION
r_scangle_it
0.954
3
930
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 2.069→2.123 Å / Total num. of bins used: 20 /